results for au:Xu_S in:cond-mat

- May 18 2018 cond-mat.mes-hall arXiv:1805.06686v1Electrons hopping in two-dimensional honeycomb lattices possess a valley degree of freedom in addition to charge and spin. In the absence of inversion symmetry, these systems were predicted to exhibit opposite Hall effects for electrons from different valleys. Such valley Hall effects have been achieved only by extrinsic means, such as substrate coupling, dual gating, and light illuminating. Here, we report the first observation of intrinsic valley Hall transport without any extrinsic symmetry breaking in the non-centrosymmetric monolayer and trilayer MoS2, evidenced by considerable nonlocal resistance that scales cubically with local resistance. Such a hallmark survives even at room temperature with a valley diffusion length at micron scale. By contrast, no valley Hall signal is observed in the centrosymmetric bilayer MoS2. Our work elucidates the topological quantum origin of valley Hall effects and marks a significant step towards the purely electrical control of valley degree of freedom in topological valleytronics.
- Thermalization of chaotic quantum many-body systems under unitary time evolution is related to the growth in complexity of initially simple Heisenberg operators. Operator growth is a manifestation of information scrambling and can be diagnosed by out-of-time-order correlators (OTOCs). However, the behavior of OTOCs of local operators in generic chaotic local Hamiltonians remains poorly understood, with some semiclassical and large N models exhibiting exponential growth of OTOCs and a sharp chaos wavefront and other random circuit models showing a diffusively broadened wavefront. In this paper we propose a unified physical picture for scrambling in chaotic local Hamiltonians. We construct a random time-dependent Hamiltonian model featuring a large N limit where the OTOC obeys a Fisher-Kolmogorov-Petrovsky-Piskunov (FKPP) type equation and exhibits exponential growth and a sharp wavefront. We show that quantum fluctuations manifest as noise (distinct from the randomness of the couplings in the underlying Hamiltonian) in the FKPP equation and that the noise-averaged OTOC exhibits a cross-over to a diffusively broadened wavefront. At small N we demonstrate that operator growth dynamics, averaged over the random couplings, can be efficiently simulated for all time using matrix product state techniques. To show that time-dependent randomness is not essential to our conclusions, we push our previous matrix product operator methods to very large size and show that data for a time-independent Hamiltonian model are also consistent with a diffusively-broadened wavefront.
- May 15 2018 cond-mat.mtrl-sci arXiv:1805.05215v1Topological crystalline insulators (TCI) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have provided powerful guidelines to search for TCIs in real materials. Using density functional theory, we identify a class of new TCI states in the tetragonal lattice of the Ca$_2$As material family. On both top and side surfaces, we observe topological surface states protected independently by rotational and mirror symmetries. We show that a particular lattice distortion can single out the newly proposed topological protection by the rotational symmetry. As a result, the Dirac points of the topological surface states are moved to generic locations in momentum space away from any high symmetry lines. Such topological surface states have not been seen before. Moreover, the other family members, including Ca$_2$Sb, Ca$_2$Bi and Sr$_2$Sb, feature different topological surface states due to their distinct topological invariants. We thus further propose topological phase transitions in the pseudo-binary systems such as (Ca$_{1-x}$Sr$_x$)$_2$As and Ca$_2$As$_x$Sb$_{1-x}$. Our work reveals rich and exotic TCI physics across the Ca$_2$As family of materials, and suggests the feasibility of materials database search methods to discover new TCIs.
- May 08 2018 cond-mat.mes-hall cond-mat.mtrl-sci arXiv:1805.02157v1We study the quantum nonlinear Hall effect in two-dimensional materials with time-reversal symmetry. When only one mirror line exists, a transverse charge current occurs in second-order response to an external electric field, as a result of the Berry curvature dipole in momentum space. Candidate 2D materials to observe this effect are two-dimensional transition-metal dichalcogenides~(TMDCs). First we use an ab initio based tight-binding approach to demonstrate that monolayer $T_d$-stricture TMDCs exhibit a finite Berry curvature dipole. In the $1H$ and $1T'$ phase of TMDCs, we show the emergence of finite Berry curvature dipole with the application of strain and displacement field respectively.
- Mar 22 2018 cond-mat.mes-hall arXiv:1803.08007v1Monolayer transition metal dichalcogenides are recently emerged 2D electronic systems with various novel properties, such as spin-valley locking, circular dichroism, valley Hall effects, Ising superconductivity. The reduced dimensionality and large effective masses further produce unconventional many-body interaction effects. Although recent hole transport measurements in WSe$_2$ indicate strong interactions in the valence bands, many-body interaction effects, particularly in the conduction bands, remain elusive to date. Here, for the first time, we perform transport measurements up to a magnetic field of $29$T to study the massive Dirac electron Landau levels (LL) in layer-polarized MoS$_2$ samples with mobilities of $22000$cm$^2$/(V$\cdot$s) at $1.5$K and densities of $\sim10^{12}$cm$^{-2}$. With decreasing the density, we observe LL crossing induced valley ferrimagnet-to-ferromagnet transitions, as a result of the interaction enhancement of the g-factor from $5.64$ to $21.82$. Near integer ratios of Zeeman-to-cyclotron energies, we discover LL anticrossings due to the formation of quantum Hall Ising ferromagnets, the valley polarizations of which appear to be reversible by tuning the density or an in-plane magnetic field. Our results provide compelling evidence for many-body interaction effects in the conduction bands of monolayer MoS$_2$ and establish a fertile ground for exploring strongly correlated phenomena of massive Dirac electrons.
- Feb 06 2018 cond-mat.str-el arXiv:1802.00928v1We report combined magnetic susceptibility, dielectric constant, nuclear quadruple resonance (NQR) and zero-field nuclear magnetic resonance (NMR) measurements on single crystals of multiferroics CuBr$_2$. High quality of the sample is demonstrated by the sharp magnetic and magnetic-driven ferroelectric transition at $T_N=T_C\approx$ 74~K. The zero-field $^{79}$Br and $^{81}$Br NMR are resolved below $T_N$. The spin-lattice relaxation rates reveal charge fluctuations when cooled below 60~K. Evidences of an increase of NMR linewidth, a reduction of dielectric constant, and an increase of magnetic susceptibility are also seen at low temperatures. These data suggest an emergent instability which competes with the spiral magnetic ordering and the ferroelectricity. Candidate mechanisms are discussed based on the quasi-one-dimensional (1D) nature of the magnetic system.
- Scrambling, a process in which quantum information spreads over a complex quantum system becoming inaccessible to simple probes, happens in generic chaotic quantum many-body systems, ranging from spin chains, to metals, even to black holes. Scrambling can be measured using out-of-time-ordered correlators (OTOCs), which are closely tied to the growth of Heisenberg operators. In this work, we present a general method to calculate OTOCs of local operators in local one-dimensional systems based on approximating Heisenberg operators as matrix-product operators (MPOs). Contrary to the common belief that such tensor network methods work only at early times, we show that the entire early growth region of the OTOC can be captured using an MPO approximation with modest bond dimension. We analytically establish the goodness of the approximation by showing that if an appropriate OTOC is close to its initial value, then the associated Heisenberg operator has low entanglement across a given cut. We use the method to study scrambling in a chaotic spin chain with $201$ sites. Based on this data and OTOC results for black holes, local random circuit models, and non-interacting systems, we conjecture a universal form for the dynamics of the OTOC near the wavefront. We show that this form collapses the chaotic spin chain data over more than fifteen orders of magnitude.
- Interaction in a flat band is magnified due to the divergence in the density of states, which gives rise to a variety of many-body phenomena such as ferromagnetism and Wigner crystallization. Until now, however, most studies of the flat band physics are based on model systems, making their experimental realization a distant future. Here, we propose a class of systems made of real atoms, namely, carbon atoms with realistic physical interactions (dubbed here as Kagome graphene/graphyne). Density functional theory calculations reveal that these Kagome lattices offer a controllable way to realize robust flat bands sufficiently close to the Fermi level. Upon hole doping, they split into spin-polarized bands at different energies to result in a flat-band ferromagnetism. At a half filling, this splitting reaches its highest level of 768 meV. At smaller fillings, e.g., when \nu=1/6, on the other hand, a Wigner crystal spontaneously forms, where the electrons form closed loops localized on the grid points of a regular triangular lattice. It breaks the translational symmetry of the original Kagome lattice. We further show that the Kagome lattices exhibit good mechanical stabilities, based on which a possible route for experimental realization of the Kagome graphene is also proposed.
- Dec 29 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1712.09992v1We use photoemission spectroscopy to discover the first topological magnet in three dimensions, the material Co$_2$MnGa.
- Dec 04 2017 cond-mat.mes-hall arXiv:1712.00055v1Topological semimetals can be classified by the connectivity and dimensionality of the band cross- ing in momentum space. The band crossings of a Dirac, Weyl, or an unconventional fermion semimet- al are 0D points, whereas the band crossings of a nodal-line semimetal are 1D closed loops. Here we propose that the presence of perpendicular crystalline mirror planes can protect 3D band crossings characterized by nontrivial links such as a Hopf link or a coupled-chain, giving rise to a variety of new types of topological semimetals. We show that the nontrivial winding number protects topolog- ical surface states distinct from those in previously known topological semimetals with a vanishing spin-orbit interaction. We also show that these nontrivial links can be engineered by tuning the mirror eigenvalues associated with the perpendicular mirror planes. Using first-principles band structure calculations, we predict the ferromagnetic full Heusler compound Co2MnGa as a candidate. Both Hopf link and chain-like bulk band crossings and unconventional topological surface states are identified.
- Nov 16 2017 cond-mat.mes-hall arXiv:1711.05000v1The first Weyl semimetal was recently discovered in the NbP class of compounds. Although the topology of these novel materials has been identified, the surface properties are not yet fully understood. By means of scanning tunneling spectroscopy, we find that NbPs (001) surface hosts a pair of Dirac cones protected by mirror symmetry. Through our high resolution spectroscopic measurements, we resolve the quantum interference patterns arising from these novel Dirac fermions, and reveal their electronic structure, including the linear dispersions. Our data, in agreement with our theoretical calculations, uncover further interesting features of the Weyl semimetal NbPs already exotic surface. Moreover, we discuss the similarities and distinctions between the Dirac fermions here and those in topological crystalline insulators in terms of symmetry protection and topology.
- Nov 03 2017 cond-mat.supr-con cond-mat.mtrl-sci arXiv:1711.00815v1We propose that the quasi-one-dimensional molybdenum selenide compound Tl2-xMo6Se6 is a time-reversal-invariant topological superconductor induced by inter-sublattice pairing, even in the absence of spin-orbit coupling (SOC). No noticeable change in superconductivity is observed in Tl-deficient (0<=x<=0.1) compounds. At weak SOC, the superconductor prefers the triplet d vector lying perpendicular to the chain direction and two-dimensional E2u symmetry, which is driven to a nematic order by spontaneous rotation symmetry breaking. The locking energy of the d vector is estimated to be weak and hence the proof of its direction would rely on tunnelling or phase-sensitive measurements.
- Oct 30 2017 cond-mat.mtrl-sci arXiv:1710.09978v1The topological semimetal $\beta$-Ag2Se features a Kramers Weyl node at the origin in momentum space and a quadruplet of spinless Weyl nodes, which are annihilated by spin-orbit coupling. We show that single crystalline $\beta$-Ag2Se manifests giant Shubnikov-de Haas oscillations in the longitudinal magnetoresistance which stem from a small electron pocket that can be driven beyond the quantum limit by a field less than 9 T. This small electron pocket is a remainder of the spin-orbit annihilatedWeyl nodes and thus encloses a Berry-phase structure. Moreover, we observed a negative longitudinal magnetoresistance when the magnetic field is beyond the quantum limit. Our experimental findings are complemented by thorough theoretical band structure analyses of this Kramers Weyl semimetal candidate, including first-principle calculations and an effective k*p model.
- Oct 24 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1710.08241v1We report the magneto-transport properties and the electronic structure of TmSb. TmSb exhibits extremely large transverse magnetoresistance and Shubnikov-de Haas (SdH) oscillation at low temperature and high magnetic field. Interestingly, the split of Fermi surfaces induced by the nonsymmetric spin-orbit interaction has been observed from SdH oscillation. The analysis of the angle-dependent SdH oscillation illustrates the contribution of each Fermi surface to the conductivity. The electronic structure revealed by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations demonstrates a gap at $X$ point and the absence of band inversion. Combined with the trivial Berry phase extracted from SdH oscillation and the nearly equal concentrations of electron and hole from Hall measurements, it is suggested that TmSb is a topologically trivial semimetal and the observed XMR originates from the electron-hole compensation and high mobility.
- Aug 23 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1708.06531v1We report the magneto-transport properties and electronic structures of BaZnBi$_2$. BaZnBi$_2$ is a quasi-two-dimensional (2D) material with metallic behavior. The transverse magnetoresistance (MR) depends on magnetic field linearly and exhibits Shubnikov-de Haas (SdH) oscillation at low temperature and high field. The observed linear MR may originate from the disorder in samples or the edge conductivity in compensated two-component systems. The first-principles calculations reveal the absence of stable gapless Dirac fermion. Combining with the trivial Berry phase extracted from SdH oscillation, BaZnBi$_2$ is suggested to be a topologically trivial semimetal. Nearly compensated electron-like Fermi surfaces (FSs) and hole-like FSs coexist in BaZnBi$_2$.
- Aug 23 2017 cond-mat.mtrl-sci arXiv:1708.06484v1We investigate systematically the bulk and surface electronic structure of the candidate nodal-line semimetal CaAgAs by angle resolved photoemission spectroscopy and density functional calculations. We observed a metallic, linear, non-$k_z$-dispersive surface band that coincides with the high-binding-energy part of the theoretical topological surface state, proving the topological nontriviality of the system. An overall downshift of the experimental Fermi level points to a rigid-band-like $p$-doping of the samples, due possibly to Ag vacancies in the as-grown crystals.
- Aug 18 2017 cond-mat.mes-hall arXiv:1708.05178v2This work reports an experimental study on an antiferromagnetic honeycomb lattice of MnPS$_3$ that couples the valley degree of freedom to a macroscopic antiferromagnetic order. The crystal structure of MnPS$_3$ is identified by high resolution scanning transmission electron microscopy. Layer dependent angle resolved polarized Raman fingerprints of the MnPS$_3$ crystal are obtained and the Raman peak at 383 cm$^{-1}$ exhibits 100% polarity. Temperature dependences of anisotropic magnetic susceptibility of MnPS$_3$ crystal are measured in superconducting quantum interference device. Magnetic parameters like effective magnetic moment, and exchange interaction are extracted from the mean field approximation mode. Ambipolar electronic transport channels in MnPS$_3$ are realized by the liquid gating technique. The conducting channel of MnPS$_3$ offers a unique platform for exploring the spin/valleytronics and magnetic orders in 2D limitation.
- Aug 15 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1708.03913v1Dirac semimetals (DSMs), which host Dirac fermions and represent new state of quantum matter, have been studied intensively in condensed matter physics. The exploration of new materials with topological states is im- portant in both physics and materials science. In this article, we report the synthesis and the transport properties of high quality single crystals of YbMnSb$_2$. YbMnSb$_2$ is a new compound with metallic behavior. Quantum oscillations, including Shubnikov-de Haas (SdH) oscillation and de Haas-van Alphen (dHvA) type oscillation, have been observed at low temperature and high magnetic field. Small effective masses and nontrivial Berry phase are extracted from the analyses of quantum oscillations, which provide the transport evidence for the possible existence of Dirac fermions in YbMnSb$_2$. The measurements of angular-dependent interlayer magnetoresistance (MR) indicate the interlayer transport is coherent. The Fermi surface (FS) of YbMnSb$_2$ possesses quasi-two dimensional (2D) characteristic as determined by the angular dependence of SdH oscillation frequency. These findings suggest that YbMnSb$_2$ is a new candidate of topological Dirac semimetal.
- Atomically thin transition metal dichalcogenides (TMDCs) such as MoS$_2$ and WSe$_2$ are emerging as a new platform for exploring many-body effects. Coulomb interactions are markedly enhanced in these materials because of the reduced screening and the large Wigner-Seitz radii. Although many-body excitonic effects in TMDCs have been extensively studied by optical means, not until recently did probing their strongly correlated electronic effects become possible in transport. Here, in p-type few-layer WSe$_2$ we observe highly density-dependent quantum Hall states of \Gamma valley holes below 12 T, whose predominant sequences alternate between odd- and even-integers. By tilting the magnetic field to induce Landau level crossings, we show that the strong Coulomb interaction enhances the Zeeman-to-cyclotron energy ratio from 2.67 to 3.55 as the density is reduced from 5.7 to 4.0$\times$10$^{12}$ cm$^{-2}$, giving rise to the even-odd alternation. Unprecedentedly, this indicates a 4.8 times enhancement of the g-factor over its band theory value at a density as high as 4.0$\times$10$^{12}$ cm$^{-2}$. Our findings unambiguously demonstrate that p-type few-layer WSe$_2$ is a superior platform for exploring strongly correlated electronic phenomena, opening a new perspective for realizing the elusive Wigner crystallization at a moderate density.
- Aug 01 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1707.09736v1The two-dimensional boron monolayers were reported to be metallic both in previous theoretical predictions and experimental observations, however, we have firstly found a family of boron monolayers with the novel semiconducting property as confirmed by the first-principles calculations with the quasi-particle G0W0 approach. We demonstrate that the vanished metallicity characterized by the pz-derived bands cross the Fermi level is attributed to the motif of a triple-hexagonal-vacancy, with which various semiconducting boron monolayers are designed to realize the band-gap engineering for the potential applications in electronic devices. The semiconducting boron monolayers in our predictions are expected to be synthesized on the proper substrates, due to the similar stabilities to the ones observed experimentally.
- Sliding along frictional interfaces separating dissimilar elastic materials is qualitatively different from sliding along interfaces separating identical materials due to the existence of an elastodynamic coupling between interfacial slip and normal stress perturbations in the former case. This bimaterial coupling has important implications for the dynamics of frictional interfaces, including their stability and rupture propagation along them. We show that while this bimaterial coupling is a monotonically increasing function of the bimaterial contrast, when it is coupled to interfacial shear stress perturbations through a friction law, various physical quantities exhibit a non-monotonic dependence on the bimaterial contrast. In particular, we show that for a regularized Coulomb friction, the maximal growth rate of unstable interfacial perturbations of homogeneous sliding is a non-monotonic function of the bimaterial contrast, and provide analytic insight into the origin of this non-monotonicity. We further show that for velocity-strengthening rate-and-state friction, the maximal growth rate of unstable interfacial perturbations of homogeneous sliding is also a non-monotonic function of the bimaterial contrast. Results from simulations of dynamic rupture along a bimaterial interface with slip-weakening friction provide evidence that the theoretically predicted non-monotonicity persists in non-steady, transient frictional dynamics.
- Jul 06 2017 cond-mat.str-el cond-mat.quant-gas arXiv:1707.01463v1The interaction effects in ultracold Fermi gases with emergent SU($N$) symmetry are studied non-perturbatively in half-filled one-dimensional lattices by employing quantum Monte Carlo simulations. As $N$ increases, weak and strong interacting systems are driven to a crossover region, but from opposite directions. In the weak interaction region, particles are nearly itinerant, and inter-particle collisions are enhanced by $N$, resulting in the amplification of interaction effects. In contrast, in the strong coupling region, increasing $N$ softens the Mott-insulating background through the enhanced virtual hopping processes. The crossover region exhibits nearly $N$-independent physical quantities, including the kinetic energy scale and the spin structure factor. The difference between even-$N$ and odd-$N$ systems is most prominent at small $N$'s with strong interactions since the odd case allows local real hopping with an energy scale much larger than the virtual one. The above effects can be experimentally tested in ultracold atom experiments with alkaline-earth (-like) fermionic atoms such as $^{87}$Sr ($^{173}$Yb).
- Jun 20 2017 cond-mat.mtrl-sci arXiv:1706.05784v1Electrolyte decomposition reactions on Li-ion battery electrodes contribute to the formation of solid electrolyte interphase (SEI) layers. These SEI layers are one of the known causes for the loss in battery voltage and capacity over repeated charge/discharge cycles. In this work, density functional theory (DFT)-based ab-initio calculations are applied to study the initial steps of the decomposition of the organic electrolyte component ethylene carbonate (EC) on the (10-14) surface of a layered Li(Nix,Mny,Co1-x-y)O2 (NMC) cathode crystal, which is commonly used in commercial Li-ion batteries. The effects on the EC reaction pathway due to dissolved Li+ ions in the electrolyte solution and different NMC cathode surface terminations containing absorbed hydroxyl -OH or fluorine -F species are explicitly considered. We predict a very fast chemical reaction consisting of an EC ring-opening process on the bare cathode surface, the rate of which is independent of the battery operation voltage. This EC ring-opening reaction is unavoidable once the cathode material contacts with the electrolyte because this process is purely chemical rather than electrochemical in nature. The -OH and -F adsorbed species display a passivation effect on the surface against the reaction with EC, but the extent is limited except for the case of -OH bonded to a surface transition metal atom. Our work implies that the possible rate-limiting steps of the electrolyte molecule decomposition are the reactions on the decomposed organic products on the cathode surface rather than on the bare cathode surface.
- Jun 15 2017 cond-mat.mtrl-sci arXiv:1706.04600v3The theoretical proposal of chiral fermions in topological semimetals has led to a significant effort towards their experimental realization. In particular, the Fermi surfaces of chiral semimetals carry quantized Chern numbers, making them an attractive platform for the observation of exotic transport and optical phenomena. While the simplest example of a chiral fermion in condensed matter is a conventional $|C|=1$ Weyl fermion, recent theoretical works have proposed a number of unconventional chiral fermions beyond the Standard Model which are protected by unique combinations of topology and crystalline symmetries. However, materials candidates for experimentally probing the transport and response signatures of these unconventional fermions have thus far remained elusive. In this paper, we propose the RhSi family in space group (SG) $\#$198 as the ideal platform for the experimental examination of unconventional chiral fermions. We find that RhSi is a filling-enforced semimetal that features near its Fermi surface a chiral double six-fold-degenerate spin-1 Weyl node at $R$ and a previously uncharacterized four-fold-degenerate chiral fermion at $\Gamma$. Each unconventional fermion displays Chern number $\pm4$ at the Fermi level. We also show that RhSi displays the largest possible momentum separation of compensative chiral fermions, the largest proposed topologically nontrivial energy window, and the longest possible Fermi arcs on its surface. We conclude by proposing signatures of an exotic bulk photogalvanic response in RhSi.
- Almost one century ago, string states - complex bound states (Wellenkomplexe) of magnetic excitations - have been predicted to exist in one-dimensional quantum magnets and since then become a subject of intensive theoretical study. However, experimental realization and identification of string states in condensed-matter systems remains an unsolved challenge up to date. Here we use high-resolution terahertz spectroscopy to identify string states in the antiferromagnetic Heisenberg-Ising chain SrCo2V2O8 in strong longitudinal magnetic fields. We observe complex bound states (strings) and fractional magnetic excitations (psinons and antipsinons) in the field-induced critical regime, which are precisely described by the Bethe ansatz. Our study reveals that two-string and three-string states govern the quantum spin dynamics close to the quantum criticality, while the fractional excitations are dominant at low energies, reflecting the antiferromagnetic quantum fluctuations.
- May 03 2017 cond-mat.mes-hall arXiv:1705.00920v1Weyl semi-metals are predicted to posses a topologically non-trivial electronic structure which leads to quasiparticles behaving as chiral- or Weyl-fermions. A number of angle resolved photoemission spectroscopy (ARPES) studies on Ta and Nb monoarsenides support these predictions finding, for example, evidence for related non-trivial surface states or Fermi-arcs. Here, we evaluate the topological character of the bulk electronic structure of these compounds through quantum oscillatory phenomena. We find that their small Fermi surface (FS) is particularly susceptible to the Zeeman-effect as one approaches the quantum limit, where a topological electronic phase-transition was recently claimed to occur. For all of the evaluated compounds, we find that their FS cross-sectional areas and their effective masses increase considerably as the magnetic field approaches the quantum limit which compromises the extraction of their Berry phase. For TaP we observe a series of anomalies in the magnetic torque and in the electrical transport at fields respectively below and above the quantum limit indicating field-induced phase-transitions. In TaAs, upon surpassing the quantum limit we observe the negative longitudinal magnetoresistivity (NLM) previously attributed to the Adler-Bell-Jackiw anomaly, to disappear at a hysteretic phase-transition leading to positive magnetoresistivity. This confirms that the NLM is intrinsically associated with their Weyl dispersion at the Fermi level, or that it does not result from an inhomogeneous current distribution.
- May 02 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1705.00590v1A Weyl semimetal (WSM) is a novel topological phase of matter, in which Weyl fermions (WFs) arise as pseudo-magnetic monopoles in its momentum space. The chirality of the WFs, given by the sign of the monopole charge, is central to the Weyl physics, since it directly serves as the sign of the topological number and gives rise to exotic properties such as Fermi arcs and the chiral anomaly. Despite being the defining property of a WSM, the chirality of the WFs has never been experimentally measured. Here, we directly detect the chirality of the WFs by measuring the photocurrent in response to circularly polarized mid-infrared light. The resulting photocurrent is determined by both the chirality of WFs and that of the photons. Our results pave the way for realizing a wide range of theoretical proposals for studying and controlling the WFs and their associated quantum anomalies by optical and electrical means. More broadly, the two chiralities, analogous to the two valleys in 2D materials, lead to a new degree of freedom in a 3D crystal with potential novel pathways to store and carry information.
- Apr 06 2017 cond-mat.mtrl-sci arXiv:1704.01140v1Earth's lower mantle is generally believed to be seismically and chemically homogeneous because most of the key seismic parameters can be explained using a simplified mineralogical model at expected press-temperature conditions. However, recent high-resolution tomographic images have revealed seismic and chemical stratification in the middle-to-lower parts of the lower mantle. Thus far, the mechanism for the compositional stratification and seismic inhomogeneity, especially their relationship with the speciation of iron in the lower mantle, remains poorly understood. We have built a complete and integrated thermodynamic model of iron and aluminum chemistry for lower mantle conditions, and from this model has emerged a stratified picture of the valence, spin and composition profile in the lower mantle. Within this picture the lower mantle has an upper region with Fe3+ enriched bridgmanite with high-spin ferropericlase and metallic Fe, and a lower region with low-spin, iron-enriched ferropericlase coexisting with iron-depleted bridgmanite and almost no metallic Fe. The transition between the regions occurs at a depth of around 1600km and is driven by the spin transition in ferropericlase, which significantly changes the iron partitioning and speciation to one that favors Fe2+ in ferropericlase and suppresses Fe3+ and metallic iron formation These changes lead to lowered bulk sound velocity by 3-4% around the mid-lower mantle and enhanced density by ~1% toward the lowermost mantle. The predicted chemically and seismically stratified lower mantle differs dramatically from the traditional homogeneous model.
- Apr 05 2017 cond-mat.mtrl-sci arXiv:1704.00872v1Interfaces are ubiquitous in Li-ion battery electrodes, occurring across compositional gradients, regions of multiphase intergrowths, and between electrodes and solid electrolyte interphases or protective coatings. However, the impact of these interfaces on Li energetics remains largely unknown. In this work, we calculated Li intercalation-site energetics across cathode interfaces and demonstrated the physics governing these energetics on both sides of the interface. We studied the olivine/olivine-structured LixFePO4/LixMPO4 (x=0 and 1, M=Co, Ti, Mn) and layered/layered-structured LiNiO2/TiO2 interfaces to explore different material structures and transition metal elements. We found that across an interface from a high- to low-voltage material the Li voltage remains constant in the high-voltage material and decays approximately linearly in the low-voltage region, approaching the Li voltage of the low-voltage material. This effect ranges from 0.5-9nm depending on the interfacial dipole screening. This effect provides a mechanism for a high-voltage material at an interface to significantly enhance the Li intercalation voltage in a low-voltage material over nanometer scale. We showed that this voltage enhancement is governed by a combination of electron transfer (from low- to high-voltage regions), strain and interfacial dipole screening. We explored the implications of this voltage enhancement for a novel heterostructured-cathode design and redox pseudocapacitors.
- Mar 16 2017 cond-mat.mes-hall arXiv:1703.05177v2Few-layer black phosphorus possesses unique electronic properties giving rise to distinct quantum phenomena and thus offers a fertile platform to explore the emergent correlation phenomena in low dimensions. A great progress has been demonstrated in improving the quality of hole-doped few-layer black phosphorus and its quantum transport studies, whereas the same achievements are rather modest for electron-doped few-layer black phosphorus. Here, we report the ambipolar quantum transport in few-layer black phosphorus exhibiting undoubtedly the quantum Hall effect for hole transport and showing clear signatures of the quantum Hall effect for electron transport. By bringing the spin-resolved Landau levels of the electron-doped black phosphorus to the coincidence, we measure the spin susceptibility $\chi_s=m^\ast g^\ast=1.1\pm0.03$. This value is larger than for hole-doped black phosphorus and illustrates an energetically equidistant arrangement of spin-resolved Landau levels. Evidently, the n-type black phosphorus offers a unique platform with equidistant sequence of spin-up and spin-down states for exploring the quantum spintronic.
- Mar 16 2017 cond-mat.mtrl-sci arXiv:1703.04537v1Engineered lattices in condensed matter physics, such as cold atom optical lattices or photonic crystals, can have fundamentally different properties from naturally-occurring electronic crystals. Here, we report a novel type of artificial quantum matter lattice. Our lattice is a multilayer heterostructure built from alternating thin films of topological and trivial insulators. Each interface within the heterostructure hosts a set of topologically-protected interface states, and by making the layers sufficiently thin, we demonstrate for the first time a hybridization of interface states across layers. In this way, our heterostructure forms an emergent atomic chain, where the interfaces act as lattice sites and the interface states act as atomic orbitals, as seen from our measurements by angle-resolved photoemission spectroscopy (ARPES). By changing the composition of the heterostructure, we can directly control hopping between lattice sites. We realize a topological and a trivial phase in our superlattice band structure. We argue that the superlattice may be characterized in a significant way by a one-dimensional topological invariant, closely related to the invariant of the Su-Schrieffer-Heeger model. Our topological insulator heterostructure demonstrates a novel experimental platform where we can engineer band structures by directly controlling how electrons hop between lattice sites.
- Mar 10 2017 cond-mat.str-el cond-mat.mes-hall arXiv:1703.03388v3Crystal structures and the Bloch theorem play a fundamental role in condensed matter physics. We extend the static crystal to the dynamic "space-time" crystal characterized by the general intertwined space-time periodicities in $D+1$ dimensions, which include both the static crystal and the Floquet crystal as special cases. A new group structure dubbed "space-time" group is constructed to describe the discrete symmetries of space-time crystal. Compared to space and magnetic groups, space-time group is augmented by "time-screw" rotations and "time-glide" reflections involving fractional translations along the time direction. A complete classification of the 13 space-time groups in 1+1D is performed. The Kramers-type degeneracy can arise from the glide time-reversal symmetry without the half-integer spinor structure, which constrains the winding number patterns of spectral dispersions. In 2+1D, non-symmorphic space-time symmetries enforce spectral degeneracies, leading to protected Floquet semi-metal states. Our work provides a general framework for further studying topological properties of the $D+1$ dimensional space-time crystal.
- Mar 07 2017 cond-mat.str-el cond-mat.mtrl-sci arXiv:1703.01341v1Topological semimetals are characterized by protected crossings between conduction and valence bands. These materials have recently attracted significant interest because of the deep connections to high-energy physics, the novel topological surface states, and the unusual transport phenomena. While Dirac and Weyl semimetals have been extensively studied, the nodal-line semimetal remains largely unexplored due to the lack of an ideal material platform. In this paper, we report the magneto-transport properties of two nodal-line semimetal candidates CaAgAs and CaCdGe. First, our single crystalline CaAgAs supports the first "hydrogen atom" nodal-line semimetal, where only the topological nodal-line is present at the Fermi level. Second, our CaCdGe sample provides an ideal platform to perform comparative studies because it features the same topological nodal line but has a more complicated Fermiology with irrelevant Fermi pockets. As a result, the magnetoresistance of our CaCdGe sample is more than 100 times larger than that of CaAgAs. Through our systematic magneto-transport and first-principles band structure calculations, we show that our CaTX compounds can be used to study, isolate, and control the novel topological nodal-line physics in real materials.
- Feb 24 2017 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1702.07310v1Weyl semimetals are conductors whose low-energy bulk excitations are Weyl fermions, whereas their surfaces possess metallic Fermi arc surface states. These Fermi arc surface states are protected by a topological invariant associated with the bulk electronic wavefunctions of the material. Recently, it has been shown that the TaAs and NbAs classes of materials harbor such a state of topological matter. We review the basic phenomena and experimental history of the discovery of the first Weyl semimetals, starting with the observation of topological Fermi arcs and Weyl nodes in TaAs and NbAs by angle and spin-resolved surface and bulk sensitive photoemission spectroscopy and continuing through magnetotransport measurements reporting the Adler-Bell-Jackiw chiral anomaly. We hope that this article provides a useful introduction to the theory of Weyl semimetals, a summary of recent experimental discoveries, and a guideline to future directions.
- Feb 15 2017 cond-mat.mes-hall arXiv:1702.04093v2Atomically thin black phosphorus (BP) field-effect transistors show strong-weak localization transition which is tunable through gate voltages. Hopping transports through charge impurity induced localized states are measured at low-carrier density regime. Variable-range hopping model is applied to simulate the charge carrier scattering behavior. In the high-carrier concentration regime, a negative magnetoresistance signals the weak localization effect. The extracted phase coherence length is power-law temperature dependent ($\sim T^{-0.48\pm0.03}$) and demonstrates electron-electron interactions in few-layer BP. The competition between the Strong localization length and phase coherence length is proposed and discussed based on the observed gate tunable strong-weak localization transition in few-layer BP.
- Although the low energy fractional excitations of one dimensional integrable models are often well-understood, exploring quantum dynamics in these systems remains challenging in the gapless regime, especially at intermediate and high energies. Based on the algebraic Bethe ansatz formalism, we study spin dynamics in the antiferromagnetic spin-$\frac{1}{2}$ XXZ chain with the Ising anisotropy via the form-factor formulae. Various excitations at different energy scales are identified crucial to the dynamic spin structure factors under the guidance of sum rules. At small magnetic polarizations, gapless excitations dominate the low energy spin dynamics arising from the magnetic-field-induced incommensurability. In contrast, spin dynamics at intermediate and high energies is characterized by the two- and three-string states, which are multi-particle excitations based on the commensurate Néel ordered background. Our work is helpful for experimental studies on spin dynamics in both condensed matter and cold atom systems beyond the low energy effective Luttinger liquid theory.
- Jan 04 2017 cond-mat.mes-hall cond-mat.mtrl-sci arXiv:1701.00512v1We fabricate high-mobility p-type few-layer WSe2 field-effect transistors and surprisingly observe a series of quantum Hall (QH) states following an unconventional sequence predominated by odd-integer states under a moderate strength magnetic field. By tilting the magnetic field, we discover Landau level (LL) crossing effects at ultra-low coincident angles, revealing that the Zeeman energy is about three times as large as the cyclotron energy near the valence band top at \Gamma valley. This result implies the significant roles played by the exchange interactions in p-type few-layer WSe2, in which itinerant or QH ferromagnetism likely occurs. Evidently, the \Gamma valley of few-layer WSe2 offers a unique platform with unusually heavy hole-carriers and a substantially enhanced g-factor for exploring strongly correlated phenomena.
- Dec 30 2016 cond-mat.supr-con cond-mat.mes-hall arXiv:1612.09276v1The surface of superconducting topological insulators (STIs) has been recognized as an effective $p\pm ip$ superconductivity platform for realizing elusive Majorana fermions. Chiral Majorana modes (CMMs), which are different from Majorana bound states localized at points, can be achieved readily in experiments by depositing a ferromagnetic overlayer on top of the STI surface. Here we simulate this heterostructure by employing a realistic tight-binding model and show that the CMM appears on the edge of the ferromagnetic islands only after the superconducting gap is inverted by the exchange coupling between the ferromagnet and the STI. In addition, multiple CMMs can be generated by tuning the chemical potential of the topological insulator. These results can be applied to both proximity-effect induced superconductivity in topological insulators and intrinsic STI compounds such as PbTaSe$_2$, BiPd and their chemical analogues, providing a route to engineering CMMs in those materials.
- Dec 23 2016 cond-mat.mtrl-sci arXiv:1612.07793v1Topological phases of matter exhibit phase transitions between distinct topological classes. These phase transitions are exotic in that they do not fall within the traditional Ginzburg-Landau paradigm but are instead associated with changes in bulk topological invariants and associated topological surface states. In the case of a Weyl semimetal this phase transition is particularly unusual because it involves the creation of bulk chiral charges and the nucleation of topological Fermi arcs. Here we image a topological phase transition to a Weyl semimetal in Mo$_x$W$_{1-x}$Te$_2$ with changing composition $x$. Using pump-probe ultrafast angle-resolved photoemission spectroscopy (pump-probe ARPES), we directly observe the nucleation of a topological Fermi arc at $x_c \sim 7\%$, showing the critical point of a topological Weyl phase transition. For Mo dopings $x < x_c$, we observe no Fermi arc, while for $x > x_c$, the Fermi arc gradually extends as the bulk Weyl points separate. Our results demonstrate for the first time the creation of magnetic monopoles in momentum space. Our work opens the way to manipulating chiral charge and topological Fermi arcs in Weyl semimetals for transport experiments and device applications.
- Dec 20 2016 cond-mat.mtrl-sci arXiv:1612.05990v1The recent discovery of a Weyl semimetal in TaAs offers the first Weyl fermion observed in nature and dramatically broadens the classification of topological phases. However, in TaAs it has proven challenging to study the rich transport phenomena arising from emergent Weyl fermions. The series Mo$_x$W$_{1-x}$Te$_2$ are inversion-breaking, layered, tunable semimetals already under study as a promising platform for new electronics and recently proposed to host Type II, or strongly Lorentz-violating, Weyl fermions. Here we report the discovery of a Weyl semimetal in Mo$_x$W$_{1-x}$Te$_2$ at $x = 25\%$. We use pump-probe angle-resolved photoemission spectroscopy (pump-probe ARPES) to directly observe a topological Fermi arc above the Fermi level, demonstrating a Weyl semimetal. The excellent agreement with calculation suggests that Mo$_x$W$_{1-x}$Te$_2$ is the first Type II Weyl semimetal. We also find that certain Weyl points are at the Fermi level, making Mo$_x$W$_{1-x}$Te$_2$ a promising platform for transport and optics experiments on Weyl semimetals.
- Dec 16 2016 cond-mat.mes-hall cond-mat.other arXiv:1612.05208v1We combine quasiparticle interference simulation (theory) and atomic resolution scanning tunneling spectro-microscopy (experiment) to visualize the interference patterns on a type-II Weyl semimetal Mo$_{x}$W$_{1-x}$Te$_2$ for the first time. Our simulation based on first-principles band topology theoretically reveals the surface electron scattering behavior. We identify the topological Fermi arc states and reveal the scattering properties of the surface states in Mo$_{0.66}$W$_{0.34}$Te$_2$. In addition, our result reveals an experimental signature of the topology via the interconnectivity of bulk and surface states, which is essential for understanding the unusual nature of this material.
- Dec 02 2016 cond-mat.mes-hall arXiv:1612.00416v2Physicists have discovered a novel topological semimetal, the Weyl semimetal, whose surface features a non-closed Fermi surface while the low energy quasiparticles in the bulk emerge as Weyl fermions. Here they share a brief review of the development and present perspectives on the next step forward.
- Nov 24 2016 cond-mat.mes-hall arXiv:1611.07925v2Chiral crystals are materials whose lattice structure has a well-defined handedness due to the lack of inversion, mirror, or other roto-inversion symmetries. These crystals represent a broad, important class of quantum materials; their structural chirality has been found to allow for a wide range of phenomena in condensed matter physics, including skyrmions in chiral magnets, unconventional pairing in chiral superconductors, nonlocal transport and unique magnetoelectric effects in chiral metals, as well as enantioselective photoresponse. Nevertheless, while these phenomena have been intensely investigated, the topological electronic properties of chiral crystals have still remained largely uncharacterized. While recent theoretical advances have shown that the presence of crystalline symmetries can protect novel band crossings in 2D and 3D systems, we present a new class of Weyl fermions enforced by the absence of particular crystal symmetries. These "Kramers-Weyl" fermions are a universal topological electronic property of all nonmagnetic chiral crystals with spin-orbit coupling (SOC); they are guaranteed by lattice translation, structural chirality, and time-reversal symmetry, and unlike conventional Weyl fermions, appear at time-reversal-invariant momenta (TRIMs). We cement this finding by identifying representative chiral materials in the majority of the 65 chiral space groups in which Kramers-Weyl fermions are relevant to low-energy physics. By combining our analysis with the results of previous works, we determine that all point-like nodal degeneracies in nonmagnetic chiral crystals with relevant SOC carry nontrivial Chern numbers. We further show that, beyond the previous phenomena allowed by structural chirality, Kramers-Weyl fermions enable unusual phenomena, such as a novel electron spin texture, chiral bulk Fermi surfaces over large energy windows.
- Nov 17 2016 cond-mat.mtrl-sci arXiv:1611.05290v1The formation of basal/prismatic (BP) interfaces accompanying with the nucleation and growth of a reoriented crystal in Mg single-crystals under c-axis tension is investigated by molecular dynamics simulations. The BP interfaces nucleate by shuffling mechanism via local rearrangements of atoms. Both two-layer disconnections and one-layer disconnections contribute to the migration of BP interfaces. In a three-dimensional view, the BP interfaces relatively tend to migrate towards the [1-210] direction rather than the [-1010]/[0001] direction since the misfit disconnection or misfit dislocation caused by the accumulation of mismatch along the [-1010] /[0001] direction impedes the disconnection movement. The BP interfaces can transform to the 10-12 twin boundary (TB) and vice versa. While the process from BP interface to TB is described as the linear pile-up of interface disconnections, the versa transformation is proposed as the upright pile-up process. Both BP transformation and 10-12 twinning can efficiently accommodate the strain along the c-axis, and the conjugate BP interfaces and 10-12 TBs account for the large deviations of twin interfaces from the 10-12 twin plane.
- Nov 16 2016 cond-mat.mtrl-sci arXiv:1611.04688v1Topological states of matter originate from distinct topological electronic structures of materials. As for strong topological insulators (STIs), the topological surface (interface) is a direct consequence of electronic structure transition between materials categorized to different topological genus. Therefore, it is fundamentally interesting if such topological character can be manipulated. Besides tuning the crystal field and the strength of spin-orbital coupling (e.g., by external strain, or chemical doping), there is currently rare report on topological state induced in ordinary insulators (OIs) by the heterostructure of OI/STI. Here we report the observation of a Dirac cone topological surface state (TSS) induced on the Sb2Se3 layer up to 15 nm thick in the OI/STI heterostructure, in sharp contrast with the OI/OI heterostructure where no sign of TSS can be observed. This is evident for an induced topological state in an OI by heterostructure.
- Oct 25 2016 cond-mat.mes-hall arXiv:1610.07267v1We demonstrate that charge density wave (CDW) phase transition occurs on the surface of electronically doped multilayer graphene when the Fermi level approaches the M points (also known as van Hove singularities where the density of states diverge) in the Brillouin zone of graphene band structure. The occurrence of such CDW phase transitions are supported by both the electrical transport measurement and optical measurements in electrostatically doped multilayer graphene. The CDW transition is accompanied with the sudden change of graphene channel resistance at T$_m$= 100K, as well as the splitting of Raman G peak (1580 cm$^{-1}$). The splitting of Raman G peak indicats the lifting of in-plane optical phonon branch degeneracy and the non-degenerate phonon branches are correlated to the lattice reconstructions of graphene -- the CDW phase transition.
- Recently, noncentrosymmetric superconductor BiPd has attracted considerable research interest due to the possibility of hosting topological superconductivity. Here we report a systematic high-resolution angle-resolved photoemission spectroscopy (ARPES) and spin-resolved ARPES study of the normal state electronic and spin properties of BiPd. Our experimental results show the presence of a surface state at higher-binding energy with the location of Dirac point at around 700 meV below the Fermi level. The detailed photon energy, temperature-dependent and spin-resolved ARPES measurements complemented by our first principles calculations demonstrate the existence of the spin polarized surface states at high-binding energy. The absence of such spin-polarized surface states near the Fermi level negates the possibility of a topological superconducting behavior on the surface. Our direct experimental observation of spin-polarized surface states in BiPd provides critical information that will guide the future search for topological superconductivity in noncentrosymmetric materials.
- Oct 07 2016 cond-mat.mes-hall arXiv:1610.02013v1The recent explosion of research interest in Weyl semimetals has led to many proposed Weyl semimetal candidates and a few experimental observations of a Weyl semimetal in real materials. Through this experience, we have come to appreciate that typical Weyl semimetals host many Weyl points. For instance, the first Weyl semimetal observed in experiment, TaAs, hosts 24 Weyl points. Similarly, the Mo$_x$W$_{1-x}$Te$_2$ series, recently under study as the first Type II Weyl semimetal, has eight Weyl points. However, it is well-understood that for a Weyl semimetal without inversion symmetry but with time-reversal symmetry, the minimum number of Weyl points is four. Realizing such a minimal Weyl semimetal is fundamentally relevant because it would offer the simplest "hydrogen atom" example of an inversion-breaking Weyl semimetal. At the same time, transport experiments and device applications may be simpler in a system with as few Weyl points as possible. Recently, TaIrTe$_4$ has been predicted to be a minimal, inversion-breaking Weyl semimetal. However, crucially, the Weyl points and Fermi arcs live entirely above the Fermi level, making them inaccessible to conventional angle-resolved photoemission spectroscopy (ARPES). Here we use pump-probe ARPES to directly access the band structure above the Fermi level in TaIrTe$_4$. We directly observe Weyl points and topological Fermi arcs, showing that TaIrTe$_4$ is a Weyl semimetal. We find that, in total, TaIrTe$_4$ has four Weyl points, providing the first example of a minimal inversion-breaking Weyl semimetal. Our results hold promise for accessing exotic transport phenomena arising in Weyl semimetals in a real material.
- Jul 08 2016 cond-mat.mtrl-sci arXiv:1607.02125v1The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substantial uncertainty about how these films function, specifically with regard to important coating design principles such as lithium solubility and transport through the films. This study uses Density Functional Theory to examine the diffusivity of interstitial lithium in crystalline \alpha-$AlF_3$, \alpha-$Al_2O_3$, m-$ZrO_2$, c-MgO, and \alpha-quartz $SiO_2$, which provide benchmark cases for further understanding of insulator coatings in general. In addition, we propose an Ohmic electrolyte model to predict resistivities and overpotential contributions under battery operating conditions. For the crystalline materials considered we predict that Li+ diffuses quite slowly, with a migration barrier larger than 0.9 eV in all crystalline materials except \alpha-quartz $SiO_2$, which is predicted to have a migration barrier of 0.276 eV along <001>. These results suggest that the stable crystalline forms of these insulator materials, except for oriented \alpha-quartz $SiO_2$, are not practical for conformal cathode coatings. Amorphous $Al_2O_3$ and $AlF_3$ have higher Li+ diffusivities than their crystalline counterparts. Our predicted amorphous $Al_2O_3$ resistivity (1789 M\Omegam) is near the top of the range of fitted resistivities extracted from previous experiments on nominal $Al_2O_3$ coatings (7.8 to 913 M\Omegam) while our predicted amorphous $AlF_3$ resistivity (114 M\Omegam) is close to the middle of the range. These comparisons support our framework for modeling and understanding the impact on overpotential of conformal coatings in terms of their fundamental thermodynamic and kinetic properties, and support that these materials can provide practical conformal coatings in their amorphous form.
- Jun 27 2016 cond-mat.mes-hall arXiv:1606.07555v1The discoveries of Dirac and Weyl semimetal states in spin-orbit compounds led to the realizations of elementary particle analogs in table-top experiments. In this paper, we propose the concept of a three-dimensional type-II Dirac fermion and identify a new topological semimetal state in the large family of transition-metal icosagenides, MA3 (M=V, Nb, Ta; A=Al, Ga, In). We show that the VAl3 family features a pair of strongly Lorentz-violating type-II Dirac nodes and that each Dirac node consists of four type-II Weyl nodes with chiral charge +/-1 via symmetry breaking. Furthermore, we predict the Landau level spectrum arising from the type-II Dirac fermions in VAl3 that is distinct from that of known Dirac semimetals. We also show a topological phase transition from a type-II Dirac semimetal to a quadratic Weyl semimetal or a topological crystalline insulator via crystalline distortions. The new type-II Dirac fermions, their novel magneto-transport response, the topological tunability and the large number of compounds make VAl3 an exciting platform to explore the wide-ranging topological phenomena associated with Lorentz-violating Dirac fermions in electrical and optical transport, spectroscopic and device-based experiments.
- Jun 27 2016 cond-mat.mes-hall arXiv:1606.07552v1We demonstrate that encapsulation of atomically thin black phosphorus (BP) by hexagonal boron nitride (h-BN) sheets is very effective for minimizing the interface impurities induced during fabrication of BP channel material for quantum transport nanodevices. Highly stable BP nanodevices with ultrahigh mobility and controllable types are realized through depositing appropriate metal electrodes after conducting a selective etching to the BP encapsulation structure. Chromium and titanium are suitable metal electrodes for BP channels to control the transition from a p-type unipolar property to ambipolar characteristic because of different work functions. Record-high mobilities of 6000 $cm^2V^{-1}s^{-1}$ and 8400 $cm^2V^{-1}s^{-1}$ are respectively obtained for electrons and holes at cryogenic temperatures. High-mobility BP devices enable the investigation of quantum oscillations with an indistinguishable Zeeman effect in laboratory magnetic field.
- Jun 13 2016 cond-mat.mtrl-sci arXiv:1606.03162v1The debate about whether the insulating phases of vanadium dioxide (VO2) can be described by band theory or must be described by a theory of strong electron correlations remains unresolved even after decades of research. Energy-band calculations using hybrid exchange functionals or including self-energy corrections account for the insulating or metallic nature of different phases, but have not yet successfully accounted for the observed magnetic orderings. Strongly-correlated theories have had limited quantitative success. Here we report that, by using hard pseudopotentials and an optimized hybrid exchange functional, the energy gaps and magnetic orderings of both monoclinic VO2 phases and the metallic nature of the high-temperature rutile phase are consistent with available experimental data, obviating an explicit role for strong correlations. We also report a potential candidate for the newly-found metallic monoclinic phase and present a detailed magnetic structure of the M2 monoclinic phase.
- May 24 2016 cond-mat.mes-hall arXiv:1605.06831v1Topological metals and semimetals (TMs) have recently drawn significant interest. These materials give rise to condensed matter realizations of many important concepts in high-energy physics, leading to wide-ranging protected properties in transport and spectroscopic experiments. The most studied TMs, i.e., Weyl and Dirac semimetals, feature quasiparticles that are direct analogues of the textbook elementary particles. Moreover, the TMs known so far can be characterized based on the dimensionality of the band crossing. While Weyl and Dirac semimetals feature zero-dimensional points, the band crossing of nodal-line semimetals forms a one-dimensional closed loop. In this paper, we identify a TM which breaks the above paradigms. Firstly, the TM features triply-degenerate band crossing in a symmorphic lattice, hence realizing emergent fermionic quasiparticles not present in quantum field theory. Secondly, the band crossing is neither 0D nor 1D. Instead, it consists of two isolated triply-degenerate nodes interconnected by multi-segments of lines with two-fold degeneracy. We present materials candidates. We further show that triplydegenerate band crossings in symmorphic crystals give rise to a Landau level spectrum distinct from the known TMs, suggesting novel magneto-transport responses. Our results open the door for realizing new topological phenomena and fermions including transport anomalies and spectroscopic responses in metallic crystals with nontrivial topology beyond the Weyl/Dirac paradigm.
- Apr 29 2016 cond-mat.str-el cond-mat.mtrl-sci arXiv:1604.08571v1Discovering Dirac fermions with novel properties has become an important front in condensed matter and materials sciences. Here, we report the observation of unusual Dirac fermion states in a strongly-correlated electron setting, which are uniquely distinct from those of graphene and conventional topological insulators. In strongly-correlated cerium monopnictides, we find two sets of highly anisotropic Dirac fermions that interpenetrate each other with negligible hybridization, and show a peculiar four-fold degeneracy where their Dirac nodes overlap. Despite the lack of protection by crystalline or time-reversal symmetries, this four-fold degeneracy is robust across magnetic phase transitions. Comparison of these experimental findings with our theoretical calculations suggests that the observed surface Dirac fermions arise from bulk band inversions at an odd number of high-symmetry points, which is analogous to the band topology which describes a $\mathbb{Z}_{2}$-topological phase. Our findings open up an unprecedented and long-sought-for platform for exploring novel Dirac fermion physics in a strongly-correlated semimetal.
- Apr 26 2016 cond-mat.mes-hall arXiv:1604.07079v1It has recently been proposed that electronic band structures in crystals give rise to a previously overlooked type of Weyl fermion, which violates Lorentz invariance and, consequently, is forbidden in particle physics. It was further predicted that Mo$_x$W$_{1-x}$Te$_2$ may realize such a Type II Weyl fermion. One crucial challenge is that the Weyl points in Mo$_x$W$_{1-x}$Te$_2$ are predicted to lie above the Fermi level. Here, by studying a simple model for a Type II Weyl cone, we clarify the importance of accessing the unoccupied band structure to demonstrate that Mo$_x$W$_{1-x}$Te$_2$ is a Weyl semimetal. Then, we use pump-probe angle-resolved photoemission spectroscopy (pump-probe ARPES) to directly observe the unoccupied band structure of Mo$_x$W$_{1-x}$Te$_2$. For the first time, we directly access states $> 0.2$ eV above the Fermi level. By comparing our results with $\textit{ab initio}$ calculations, we conclude that we directly observe the surface state containing the topological Fermi arc. Our work opens the way to studying the unoccupied band structure as well as the time-domain relaxation dynamics of Mo$_x$W$_{1-x}$Te$_2$ and related transition metal dichalcogenides.
- Apr 22 2016 cond-mat.str-el cond-mat.mes-hall arXiv:1604.06324v3Searching for room temperature ferromagnetic semiconductors has evolved into a broad field of material science and spintronics for decades, nevertheless, these novel states remain rare. Phosphorene, a monolayer black phosphorus with a puckered honeycomb lattice structure possessing a finite band gap and high carrier mobility, has been synthesized recently. Here we show, by means of two different large scale quantum Monte-Carlo methods, that relatively weak interactions can lead to remarkable edge magnetism in the phosphorene nanoribbons. The ground state constrained path quantum Monte-Carlo simulations reveal strong ferromagnetic correlations along the zigzag edges, and the finite temperature determinant quantum Monte-Carlo calculations show a high Curie temperature up to room temperature.
- Apr 21 2016 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1604.05912v2YSb crystals are grown and the transport properties under magnetic field are measured. The resistivity exhibits metallic behavior under zero magnetic field and the low temperature resistivity shows a clear upturn once a moderate magnetic field is applied. The upturn is greatly enhanced by increasing magnetic field, finally resulting in a metal-to-insulator-like transition. With temperature further decreased, a resistivity plateau emerges after the insulator-like regime. At low temperature (2.5 K) and high field (14 T), the transverse magnetoresistance (MR) is quite large (3.47 $\times 10^4\%$ ). In addition, Shubnikov-de Haas (SdH) oscillation has also been observed in YSb. Periodic behavior of the oscillation amplitude reveals the related information about Fermi surface and two major oscillation frequencies can be obtained from the FFT spectra of the oscillations. The trivial Berry phase extracted from SdH oscillation, band structure revealed by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations demonstrate that YSb is a topologically trivial material.
- Apr 08 2016 cond-mat.mtrl-sci arXiv:1604.02124v4Weyl semimetals are novel topological conductors that host Weyl fermions as emergent quasiparticles. While the Weyl fermions in high-energy physics are strictly defined as the massless solution of the Dirac equation and uniquely fixed by Lorentz symmetry, there is no such constraint for a topological metal in general. Specifically, the Weyl quasiparticles can arise by breaking either the space-inversion ($\mathcal{I}$) or time-reversal ($\mathcal{T}$) symmetry. They can either respect Lorentz symmetry (type-I) or strongly violate it (type-II). To date, different types of Weyl fermions have been predicted to occur only in different classes of materials. In this paper, we present a significant materials breakthrough by identifying a large class of Weyl materials in the RAlX (R=Rare earth, Al, X=Ge, Si) family that can realize all different types of emergent Weyl fermions ($\mathcal{I}$-breaking, $\mathcal{T}$-breaking, type-I or type-II), depending on a suitable choice of the rare earth elements. Specifically, RAlX can be ferromagnetic, nonmagnetic or antiferromagnetic and the electronic band topology and topological nature of the Weyl fermions can be tuned. The unparalleled tunability and the large number of compounds make the RAlX family of compounds a unique Weyl semimetal class for exploring the wide-ranging topological phenomena associated with different types of emergent Weyl fermions in transport, spectroscopic and device-based experiments.
- Apr 05 2016 cond-mat.mtrl-sci arXiv:1604.00579v1There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries. Twinning deformation typically involves the kinetics of stacking faults, its interaction with dislocations, and dislocation - twin boundary interactions. While the latter has been intensively investigated, the dynamics of stacking faults has been less known. In this work, we report several new insights on the stacking fault behavior in twin induced plasticity from our meta-atom molecular dynamics simulation: The stacking fault interactions are dominated by dislocation reactions taking place spontaneously, different from the proposed mechanism in literatures; The competition among generating a single stacking fault, a twinning partial and a trailing partial dislocation is dependent on a unique parameter, i.e. stacking fault energy, which in turn determines deformation twinning behaviors. The complex twin-slip and twin-dislocation interactions demonstrate the dual role of deformation twins as both dislocation barrier and storage, potentially contributing to the high strength and ductility of advanced materials like TWIP steels where deformation twinning dominated plasticity accounts for the superb strength-ductility combination.
- Apr 05 2016 cond-mat.mes-hall arXiv:1604.00720v1Unveiling new topological phases of matter is one of the current objectives in condensed matter physics. Recent experimental discoveries of Dirac and Weyl semimetals prompt to search for other exotic phases of matter. Here we present a systematic angle-resolved photoemission spectroscopy (ARPES) study of ZrSiS, a prime topological nodal semimetal candidate. Our wider Brillouin zone (BZ) mapping shows multiple Fermi surface pockets such as the diamond-shaped Fermi surface, ellipsoidal-shaped Fermi surface, and a small electron pocket encircling at the zone center (G) point, the M point and the X point of the BZ, respectively. We experimentally establish the spinless nodal fermion semimetal phase in ZrSiS, which is supported by our first-principles calculations. Our findings evidence that the ZrSiS-type of material family is a new platform to explore exotic states of quantum matter, while these materials are expected to provide an avenue for engineering two-dimensional topological insulator systems.
- Apr 05 2016 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1604.00420v1Atomically thin black phosphorus (BP) is a promising two-dimensional material for fabricating electronic and optoelectronic nano-devices with high mobility and tunable bandgap structures. However, the charge-carrier mobility in few-layer phosphorene (monolayer BP) is mainly limited by the presence of impurity and disorders. In this study, we demonstrate that vertical BP heterostructure devices offer great advantages in probing the electron states of monolayer and few-layer phosphorene at temperatures down to 2 K through capacitance spectroscopy. Electronic states in the conduction and valence bands of phosphorene are accessible over a wide range of temperature and frequency. Exponential band tails have been determined to be related to disorders. Unusual phenomena such as the large temperature-dependence of the electron state population in few-layer phosphorene have been observed and systematically studied. By combining the first-principles calculation, we identified that the thermal excitation of charge trap states and oxidation-induced defect states were the main reasons for this large temperature dependence of the electron state population and degradation of the on-off ratio in phosphorene field-effect transistors.
- Mar 24 2016 cond-mat.mes-hall arXiv:1603.07318v3We report theoretical and experimental discovery of Lorentz-violating Weyl fermion semimetal type-II state in the LaAlGe class of materials. Previously type-II Weyl state was predicted in WTe2 materials which remains unrealized in surface experiments. We show theoretically and experimentally that LaAlGe class of materials are the robust platforms for the study of type-II Weyl physics.
- Strongly Anisotropic Thermal and Electrical Conductivities of Self-assembled Silver Nanowire NetworkMar 23 2016 cond-mat.mes-hall arXiv:1603.06845v1Heat dissipation issues are the emerging challenges in the field of flexible electronics. Thermal management of flexible electronics creates a demand for flexible materials with highly anisotropic thermal conductivity, which work as heat spreaders to remove excess heat in the in-plane direction and as heat shields to protect human skin or device components under them from heating. This study proposes a self-assembled silver nanowire network with high thermal and electrical anisotropy with the potential to solve these challenges. The in-plane thermal conductivity of the network along the axial direction of silver nanowires is measured as 37 W/m-K while the cross-plane thermal conductivity is only 0.36 W/m-K. The results of measurements of electrical and thermal conductivities suggest that abundant wire-wire contacts strongly impede thermal transport. The excellent alignment of nanowires results in the same anisotropy ratio of 3 for both thermal and electrical conduction in the two in-plane directions. The ratio remains unchanged as the temperature decrease to 50 K, which indicates that wire-wire contacts lower the thermal and electrical conduction in the two directions to the same extent and their effect is independent of temperature. In addition, phonon softening markedly reduces the Debye temperatures of the network, which are fitted from the electrical resistivity data. As a result of phonon thermal conduction, the Lorenz numbers of the film in the two directions, which are approximately the same, are larger than the Sommerfeld value at room temperature and decrease as temperature decreases because of small angle scattering and the reduced phonon contribution. This nanowire network provides a solution to the emerging challenges of thermal management of flexible electronics.
- Mar 04 2016 cond-mat.mtrl-sci arXiv:1603.01255v3Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal state in the ferromagnetic half-metal compounds Co$_2$TiX (X=Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co$_2$TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperatures, but also suggest potential applications such as unusual anomalous Hall effects in engineered monolayers of the Co$_2$TiX compounds at high temperatures.
- Feb 10 2016 cond-mat.str-el quant-ph arXiv:1602.02805v1We show that a large class of gapless states are renormalization group fixed points in the sense that they can be grown scale by scale using local unitaries. This class of examples includes some theories with dynamical exponent different from one, but does not include conformal field theories. The key property of the states we consider is that the ground state wavefunction is related to the statistical weight of a local statistical model. We give several examples of our construction in the context of Ising magnetism.
- Jan 19 2016 cond-mat.mes-hall arXiv:1601.04327v1The recent discovery of the first Weyl semimetal in TaAs provides the first observation of a Weyl fermion in nature and demonstrates a novel type of anomalous surface state, the Fermi arc. Like topological insulators, the bulk topological invariants of a Weyl semimetal are uniquely fixed by the surface states of a bulk sample. Here, we present a set of distinct conditions, accessible by angle-resolved photoemission spectroscopy (ARPES), each of which demonstrates topological Fermi arcs in a surface state band structure, with minimal reliance on calculation. We apply these results to TaAs and NbP. For the first time, we rigorously demonstrate a non-zero Chern number in TaAs by counting chiral edge modes on a closed loop. We further show that it is unreasonable to directly observe Fermi arcs in NbP by ARPES within available experimental resolution and spectral linewidth. Our results are general and apply to any new material to demonstrate a Weyl semimetal.
- Jan 19 2016 cond-mat.mtrl-sci cond-mat.mes-hall arXiv:1601.04208v2Weyl semimetals provide the realization of Weyl fermions in solid-state physics. Among all the physical phenomena that are enabled by Weyl semimetals, the chiral anomaly is the most unusual one. Here, we report signatures of the chiral anomaly in the magneto-transport measurements on the first Weyl semimetal TaAs. We show negative magnetoresistance under parallel electric and magnetic fields, that is, unlike most metals whose resistivity increases under an external magnetic field, we observe that our high mobility TaAs samples become more conductive as a magnetic field is applied along the direction of the current for certain ranges of the field strength. We present systematically detailed data and careful analyses, which allow us to exclude other possible origins of the observed negative magnetoresistance. Our transport data, corroborated by photoemission measurements, first-principles calculations and theoretical analyses, collectively demonstrate signatures of the Weyl fermion chiral anomaly in the magneto-transport of TaAs.
- The Poisson Boltzmann equation is known for its success in describing the Debye layer that arises from the charge separation phenomenon at the silica/water interface. However, by treating only the mobile ionic charges in the liquid, the Poisson Boltzmann equation accounts for only half of the electrical double layer, with the other half, the surface charge layer, being beyond its computational domain. In this work, we take a holistic approach to the charge separation phenomenon at the silica/water interface by treating, within a single computational domain, the electrical double layer that comprises both the mobile ions in the liquid and the surface charge density. The Poisson Nernst Planck equations are used as the rigorous basis for our methodology. The holistic approach has the advantage of being able to predict surface charge variations that arise either from the addition of salt and acid to the liquid, or from the decrease of the liquid channel width to below twice the Debye length. As the electrical double layer must be overall neutral, we use this constraint to derive both the form of the static limit of the Poisson Nernst Planck equations, as well as a global chemical potential that replaces the classical zeta potential as the boundary value for the PB equation, which can be re-derived from our formalism. We present several predictions of our theory that are beyond the framework of the PB equation alone, e.g., the surface capacitance and the so-called pK and pL values, the isoelectronic point at which the surface charge layer is neutralized, and the appearance of a Donnan potential that arises from the formation of an electrical double layer at the inlet regions of a nano-channel connected to the bulk reservoir. All theory predictions are shown to be in good agreement with the experimental observations.
- Jan 08 2016 cond-mat.mtrl-sci arXiv:1601.01393v1Boron (B) sheet has been intently studied and various candidates with vacancies have been proposed by theoretical investigations, including the possible growth on metal surface. However, a recent experiment (Science 350, 1513, 2015) reported that the sheet formed on the Ag(111) surface was a buckled triangular lattice without vacancy. Our calculations combined with High-Throughput screening and the first-principles method demonstrate a novel growth mechanism of boron sheet from clusters, ribbons, to monolayers, where the B-Ag interaction is dominant in the nucleation of boron nanostructures. We have found that the simulated STM image of the sheet with 1/6 vacancies in a stripe pattern is in better agreement with the experimental observation, which is energetically favored during the nucleation and growth.
- Dec 31 2015 cond-mat.soft arXiv:1512.08616v1With the traditional equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space in complex systems, which are separated into some metastable conformational regions by high free energy barriers. The applied non-equilibrium process in simulations could enhance the transitions among these conformational regions, and the associated non-equilibrium effects can be removed by employing the Jarzynski equality (JE), then the global equilibrium distribution can be reproduced. However, the original JE requires the initial distribution of the non-equilibrium process is equilibrium, which largely limits the application of the non-equilibrium method in equilibrium sampling. By extending the previous method, the reweighted ensemble dynamics (RED), which re-weights many equilibrium simulation trajectories from arbitrary initial distribution to reproduce the global equilibrium, to non-equilibrium simulations, we present a method, named as re-weighted non-equilibrium ensemble dynamics (RNED), to generalize the JE in the non-equilibrium trajectories started from an arbitrary initial distribution, thus provide an efficient method to reproduce the equilibrium distribution based on multiple independent (short) non-equilibrium trajectories. We have illustrated the validity of the RNED in a one-dimensional toy model and in a Lennard-Jones system to detect the liquid-solid phase coexistence.