The close approach of the Fermi energy EF of a Dirac semimetal to the Dirac point ED uncovers new physics such as velocity renormalization,1,2,3 and the Dirac plasma 4,5 at |EF -ED| < kBT, where kBT is the thermal energy. In graphene, substrate disorder drives fluctuations in EF. Three-dimensional topological Dirac semimetals (TDS)6,7 obviate the substrate, and should show reduced EF fluctuations due to better metallic screening and higher dielectric constants. Here we map the potential fluctuations in TDS Na3Bi using a scanning tunneling microscope. The rms potential fluctuations are significantly smaller than room temperature (ΔEF,rms = 4-6 meV = 40-70 K) and comparable to the highest quality graphene on h-BN;8 far smaller than graphene on SiO2,9,10 or the Dirac surface state of a topological insulator.11 Surface Na vacancies produce a novel resonance close to the Dirac point with surprisingly large spatial extent and provides a unique way to tune the surface density of states in a TDS thin-film material.
Low frequency 1/f noise is investigated in graphene, encapsulated between hexagonal boron nitride (hBN) substrate in dual gated geometry. The overall noise magnitude is smaller as compared to graphene on Si/SiO2 substrate. The noise amplitude in the hole doped region is independent of carrier density while in the electron doped region, a pronounced peak is observed, at Fermi energy, EF ~ 90 meV. The physical mechanism of the anomalous noise peak in the electron doped region is attributed to the impurity states originating from the Carbon atom replacing the Nitrogen site in hBN crystal. Further…
We propose a torsional response raised by lattice dislocation in Weyl semimetals akin to chiral magnetic effect; i.e. a fictitious magnetic field arising from screw or edge dislocation induces charge current. We demonstrate that, in sharp contrast to the usual chiral magnetic effect which vanishes in real solid state materials, the torsional chiral magnetic effect exists even for realistic lattice models, which implies the experimental detection of the effect via SQUID or nonlocal resistivity measurements in Weyl semimetal materials.
We theoretically study the interplay between bulk Weyl electrons and magnetic topological defects, including magnetic domains, domain walls, and $\mathbb{Z}_6$ vortex lines, in the antiferromagnetic Weyl semimetals \mnsn\ and Mn$_3$Ge with negative vector chirality. We argue that these materials possess a hierarchy of energies scales which allows a description of the spin structure and spin dynamics using a XY model with $\mathbb{Z}_6$ anisotropy. We propose a dynamical equation of motion for the XY order parameter, which implies the presence of $\mathbb{Z}_6$ vortex lines, the double-domain p…
The mixed-chalcogenide compound TlBiSSe realizes a three-dimensional (3D) Dirac semimetal state. In clean, low-carrier-density single crystals of this material, we found Shubnikov-de Haas oscillations to signify its 3D Dirac nature. Moreover, we observed very large linear magnetoresistance (MR) approaching 10,000% in 14 T at 1.8 K, which diminishes rapidly above 30 K. Our analysis of the magnetotransport data points to the possibility that the linear MR is fundamentally governed by the Hall field; although such a situation has been predicted for highly-inhomogeneous systems, inhomogeneity does…
We report a structural study of the Weyl semimetals TaAs, TaP, NbP, and NbAs, utilizing diffraction techniques (single crystal x-ray diffraction and energy dispersive spectroscopy) and imaging techniques (transmission electron microscopy/scanning transmission electron microscopy). We observe defects of various degrees, leading to non-stoichiometric single crystals of all four semimetals. While TaP displays a large pnictide deficiency with composition TaP$_{0.83(3)}$, and stacking faults accompanied by anti-site disorder and site vacancies, TaAs displays transition metal deficiency with composi…
Three-dimensional topological semimetals host a range of interesting quantum phenomena related to band crossing that give rise to Dirac or Weyl fermions, and can be potentially engineered into novel quantum devices. Harvesting the full potential of these materials will depend on our ability to position the Fermi level near the symmetry-protected band crossings so that their exotic spin and charge transport properties become prominent in the devices. Recent experiments on bulk and thin films of topological half-Heuslers show that the Fermi level is far from the symmetry-protected crossings, lea…
We study electronic and thermoelectric transport in a type I Weyl semimetal nanojunction, with a torsional dislocation defect, in the presence of an external magnetic field parallel to the dislocation axis. The defect is modeled in a cylindrical geometry, as a combination of a gauge field accounting for torsional strain, and a delta-potential barrier for the lattice mismatch effect. In the Landauer formalism, we find that due to the combination of strain and magnetic field, the electric current exhibits chiral valley-polarization, and the conductance displays the signature of Landau levels. We…
Nontrivial band topologies in semimetals lead to robust surface states that can contribute dominantly to the total conduction. This may result in reduced resistivity with decreasing feature size contrary to conventional metals, which may highly impact the semiconductor industry. Here we study the resistivity scaling of a representative topological semimetal CoSi using realistic band structures and Green's function methods. We show that there exists a critical thickness d_c dividing different scaling trends. Above d_c, when the defect density is low such that surface conduction dominates, resis…
We report a structural study of the Weyl semimetals TaAs and TaP, utilizing diffraction and imaging techniques, where we show that they contain a high density of defects, leading to non-stoichiometric single crystals of both semimetals. Despite the observed defects and non-stoichiometry on samples grown using techniques already reported in the literature, de Haas-van Alphen measurements on TaP reveal quantum oscillations and a high carrier mobility, an indication that the crystals are of quality comparable to those reported elsewhere. Electronic structure calculations on TaAs reveal that the p…
We study a class of Dirac semimetals that feature an eightfold-degenerate double Dirac point. We show that 7 of the 230 space groups can host such Dirac points and argue that they all generically display linear dispersion. We introduce an explicit tight-binding model for space groups 130 and 135, showing that 135 can host an intrinsic double Dirac semimetal -- one with no additional degeneracies at the Fermi energy. We consider symmetry-lowering perturbations and show that uniaxial compressive strain in different directions leads to topologically distinct insulating phases. In addition, the do…
Large-area thin films of topological Dirac semimetal Na$_3$Bi are grown on amorphous SiO$_2$:Si substrates to realise a field-effect transistor with the doped Si acting as back gate. As-grown films show charge carrier mobilities exceeding 7,000 cm$^2$/Vs and carrier densities below 3 $\times $10$^{18}$ cm$^{-3}$, comparable to the best thin-film Na$_3$Bi. An ambipolar field effect and minimum conductivity are observed, characteristic of Dirac electronic systems. The results are quantitatively understood within a model of disorder-induced charge inhomogeneity in topological Dirac semimetals. Du…
The I-Mn-V antiferromagnet, NaMnBi, develops a very large positive magnetoresistance (MR) up to 10,000% at 2 K and 9 T in crystals showing a semiconductor-to-metal transition (SMT). In the absence of an SMT, a modest (20%) MR is achieved. Here, we show that upon cooling below the magnetic transition, a spatial modulation appears giving rise to new Bragg peaks due to charge and defect ordering in a checkerboard pattern, with two kinds of modulation vectors, $q_1$=($\frac23$, 0, 1) and $q_2$=($\frac23, \frac13, \frac12$). This constitutes a superlattice transition ($T_s$) that lowers the symmetr…
We have performed scanning gate microscopy (SGM) on graphene field effect transistors (GFET), using a biased metallic nanowire coated with a dielectric layer as a contact mode tip and local top gate. Electrical transport through graphene at various back gate voltages is monitored as a function of tip voltage and tip position. Near the Dirac point, the dependence of graphene resistance on tip voltage shows a significant variation with tip position. SGM imaging reveals mesoscopic domains of electron-doped and hole-doped regions. Our measurements indicate a substantial spatial fluctuation (on the…
Electronic functionalities in materials from silicon to transition metal oxides are to a large extent controlled by defects and their relative arrangement. Outstanding examples are the oxides of copper, where defect order is correlated with their high superconducting transition temperatures. The oxygen defect order can be highly inhomogeneous, even in "optimal" superconducting samples, which raises the question of the nature of the sample regions where the order does not exist but which nonetheless form the "glue" binding the ordered regions together. Here we use scanning X-ray microdiffractio…
Weyl semimetals may open a new era in condensed matter physics, materials science and nanotech after graphene and topological insulators. We report the first atomic scale view of the surface states of a Weyl semimetal (NbP) using scanning tunneling microscopy/spectroscopy. We observe coherent quantum interference patterns that arise from the scattering of quasiparticles near point defects on the surface. The measurements reveal the surface electronic structure both below and above the chemical potential in both real and reciprocal spaces. Moreover, the interference maps uncover the scattering …
Penta-graphene is a quasi-two-dimensional carbon allotrope consisting of a pentagonal lattice in which both sp2 and sp3-like carbons are present. Unlike graphene, penta-graphene exhibits a non-zero bandgap, which opens the possibility of its use in optoelectronic applications. However, as the observed bandgap is large, gap tuning strategies such as doping are required. In this work, density functional theory calculations are used to determine the effects of the different number of line defects of substitutional nitrogen or silicon atoms on the penta-graphene electronic behavior. Our results sh…
The boundary conditions, customarily used in the Landau-type approach to ferroelectric thin films and nanostructures, have to be modified to take into account that a surface of a ferroelectric (FE) is a defect of the ``field'' type. The surface (interface) field is coupled to a normal component of polarization and, as a result, the second order phase transitions are generally suppressed and anomalies in response are washed out. In FE films with a compositional (grading) or some other type of inhomogeneity, the transition into a monodomain state is suppressed, but a transition with formation of…
The chalcogenide Bi$_2$Se$_3$ can attain the three dimensional (3D) Dirac semimetal state under the influence of strain and microstrain. Here we report the presnece of large linear magnetoresistance in such a Bi$_2$Se$_3$ crystal. The magnetoresistance has quadratic form at low fields which crossovers to linear above 4 T. The temperature dependence of magnetoresistance scales with carrier mobility and the crossover field scales with inverse of mobility. Our analysis suggest that the linear magnetoresistance in our system has a classical origin and arises from the scattering of high mobility 3D…
The operation of organic optoelectronic devices relies notably on the bulk properties of compound molecular species, but even more so on the influence of interfaces thereof. The identification and characterization of elemental processes in these critical sections of a device thereby requires well-defined interfaces with low defect density. In this context titanyl phthalocyanine (TiOPc) arises as an excellent candidate that reveals the formation of a stable bilayer structure with a characteristic "up-down" molecular arrangement that optimizes the dipole-dipole interaction within the bilayer. In…
Hebei Normal University（河北师范大学）；Beijing Information Science and Technology University（北京信息科技大学）；Songshan Lake Materials Laboratory（松山湖材料实验室）；Zhejiang University of Technology（浙江工业大学）
Two-dimensional topological edge states, immunizing against defects and disorders, have greatly revolutionized our scientific cognition on propagation and scattering of acoustic waves. Recently, the similar states have been predicted in three-dimensional acoustic systems consisting of chiral coupling resonance cavities. However, the direct observation of topological surface propagation, especially in a 3D acoustic system with simple scatterers but not complicatedly coupling resonances, has still not been exploited. Here, we design and fabricate a 3D acoustic semimetal composed of rotationally …
Topological Weyl semimetal WTe2 with large-scale film form has a promising prospect for new-generation spintronic devices. However, it remains a hard task to suppress the defect states in large-scale WTe2 films due to the chemical nature. Here, we significantly improve the crystalline quality and remove the Te vacancies in WTe2 films by post annealing. We observe the distinct Shubnikov-de Haas quantum oscillations in WTe2 films. The nontrivial Berry phase can be revealed by Landau fan diagram analysis. The Hall mobility of WTe2 films can reach 1245 cm2V-1s-1 and 1423 cm2V-1s-1 for holes and el…
Turning a pristine Mott insulator into a correlated metal by chemical doping is a common procedure in strongly correlated materials physics, e.g. underlying the phenomenology of high-$T_c$ cuprates. The ruthenate bilayer compound Ca$_3$Ru$_2$O$_7$ is a prominent example of a reversed case, namely a correlated metal at stoichiometry that realizes a transition into an insulating state via Ti doping. We here investigate this puzzling metal-insulator transition (MIT) by first-principles many-body theory and elucidate a challenging interplay between electronic correlations and symmetry breakings on…
MX monopnictide compounds (M=Nb,Ta, X = As,P) are prototypical three-dimensional Weyl semimetals (WSMs) that have been shown in bulk single crystal form to have potential for a wide variety of novel devices due to topologically protected band structures and high mobilities. However, very little is known about thin film synthesis, which is essential to enable device applications. We synthesize TaAs(001) epilayers by molecular beam epitaxy on GaAs(001) and provide an experimental phase diagram illustrating conditions for single phase, single-crystal-like growth. We investigate the relationship b…
The strain incompatibility equations are discussed for nonlinear Kirchhoff-Love shells with sources of inhomogeneity arising due to a distribution of topological defects, such as dislocations and disclinations, and metric anomalies, such as point defects, thermal strains, and biological growth. The incompatibility equations are given for all topological surfaces, with or without boundary, which are isometrically embeddable in a 3-dimensional Euclidean space.
Defect Engineering for Stabilizing Magnetic and Topological Properties in Mn(Bi1-xSbx)2Te4
Fudan University（复旦大学）；Southeast University（东南大学）；Eastern Institute of Technology（宁波工程学院）；Shanghai Jiao Tong University（上海交通大学）；East China Normal University（华东师范大学）；Chinese Academy of Sciences（中国科学院）
Thin crystalline layers of TaAs Weyl semimetal (9 and 18 nm thick) are grown by molecular beam epitaxy on GaAs(001) substrates. The (001) planes of the tetragonal TaAs lattice are parallel to the GaAs(001) substrate, but the corresponding in-plane crystallographic directions of the substrate and the layer are rotated by 45°. In spite of a substantial lattice mismatch (about 19%) between GaAs(001) substrate and TaAs epilayer no misfit dislocations are observed at the GaAs(001)/TaAs(001) interface. Only stacking fault defects in TaAs are detected with transmission electron microscopy. Thorough X…
Recently, Cd3As2 has attracted intensive research interest as an archetypical Dirac semimetal, hosting three-dimensional linear-dispersive electronic bands near the Fermi level. Previous studies have shown that single-crystalline Cd3As2 has an anomalously low lattice thermal conductivity, ranging from 0.3 W/mK to 0.7 W/mK at 300 K, which has been attributed to point defects. In this work, we combine first-principles lattice dynamics calculations and temperature-dependent high-resolution Raman spectroscopy of high-quality single-crystal thin films grown by molecular beam epitaxy to reveal the e…
3D Dirac semimetals are an emerging class of materials that possess topological electronic states with a Dirac dispersion in their bulk. In nodal-line Dirac semimetals, the conductance and valence bands connect along a closed path in momentum space, leading to the prediction of pseudospin vortex rings and pseudospin skyrmions. Here, we use Fourier transform scanning tunneling spectroscopy (FT-STS) at 4.5 K to resolve quasiparticle interference (QPI) patterns at single defect centers on the surface of the line nodal semimetal zirconium silicon sulfide (ZrSiS). Our QPI measurements show pseudosp…
Axion electrodynamics in condensed matter could emerge from the formation of charge density waves (CDWs) in Weyl semimetals. (TaSe$_4$)$_2$I was proposed to be the first material platform for realizing axionic CDW that may host topological defects with one-dimensional in-gap modes. The real-space modulation of the CDW phase and the existence of in-gap modes remain elusive. Here, we present a comprehensive scanning tunneling microscopic and spectroscopic study of a CDW on a (TaSe$_4$)$_2$I (110) surface. The tunneling spectroscopic measurements reveal a CDW gap of $\sim 200$ meV, in good agreem…
Despite the recent surge in interest in Cu$_{3-x}$P for catalysis, batteries, and plasmonics, the electronic nature of Cu$_{3-x}$P remains unclear. Some studies have shown evidence of semiconducting behavior, whereas others have argued that Cu$_{3-x}$P is a metallic compound. Here, we attempt to resolve this dilemma on the basis of combinatorial thin-film experiments, electronic structure calculations, and semiclassical Boltzmann transport theory. We find strong evidence that stoichiometric, defect-free Cu$_3$P is an intrinsic semimetal, i.e., a material with a small overlap between the valenc…
Condensed matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations and the possibility to manipulate them in materials for potential applications. Recently, it has been proposed that Weyl fermions, which are chiral, massless particles, can emerge in certain bulk materials or in topological insulator multilayers and can produce unusual transport properties, such as charge pumping driven by a chiral anomaly. A pair of Weyl fermions protected by crystalline symmetry, effectively forming a massless Dirac fermion, has been predicted to appear as low energy excitatio…
Recently, the topological nature of an antiferromagnet YbMnBi2 has been controversial. YbMnBi2 is regarded as a candidate of Type-II Weyl semimetals with magnetic moments of Mn atoms canting about 10° in some studies but as a Dirac semimetal without canting in others. By means of systematical density functional theory calculations, we show the perfect YbMnBi2 bulk has a collinear antiferromagnetic ordering and, naturally, it is a Dirac semimetal. Considering the vital role of magnetic moment canting in generating the Type-II Weyl state, we artificially cant the magnetic moments of Mn atoms and…
Neutrally charged divacancies in silicon carbide (SiC) are paramagnetic color centers whose long coherence times and near-telecom operating wavelengths make them promising for scalable quantum communication technologies compatible with existing fiber optic networks. However, local strain inhomogeneity can randomly perturb their optical transition frequencies, which degrades the indistinguishability of photons emitted from separate defects, and hinders their coupling to optical cavities. Here we show that electric fields can be used to tune the optical transition frequencies of single neutral d…
There are two prominent applications of the mathematical concept of topology to the physics of materials: band topology, which classifies different topological insulators and semimetals, and topological defects that represent immutable deviations of a solid lattice from its ideal crystalline form. While these two classes of topological phenomena have generally been treated as separate topics, recent experimental advancements have begun to probe their intricate and surprising interactions, in real materials as well as synthetic metamaterials. Topological lattice defects in topological materials…
Displacement-Field-Induced Ionization of Defect States in High-Quality hBN
National University of Singapore（新加坡国立大学）；Institute for Functional Intelligent Materials, National University of Singapore（新加坡国立大学功能智能材料研究所）；University of Manchester（曼彻斯特大学）；National Graphene Institute, University of Manchester（曼彻斯特大学国家石墨烯研究所）；University of Southampton（南安普顿大学）；National Institute for Materials Science（日本物质材料研究机构）
A type of line defect (LD) composed of alternate squares and octagons (4-8) as the basic unit is currently an experimentally available topological defect in graphene lattice, which brings some interesting modification to magnetic and electronic properties of graphene. The transitional metal (TM) adsorb on graphene with line-defect (4-8), and they show interesting and attractive structural, magnetic and electronic properties. For different TMs such as Fe, Co, Mn, Ni and V, the complex systems show different magnetic and electronic properties. The TM atoms can spontaneously adsorb at quadrangula…
The origin of the $3 \times 1$ reconstruction observed in epitaxial LaCoO$_{3}$ films on SrTiO$_3(001)$ is assessed by using first-principles calculations including a Coulomb repulsion term. We compile a phase diagram as a function of the oxygen pressure, which shows that ($3 \times 1$)-ordered oxygen vacancies (LaCoO$_{2.67}$) are favored under commonly used growth conditions, while stoichiometric films emerge under oxygen-rich conditions. Growth of further reduced LaCoO$_{2.5}$ brownmillerite films is impeded by phase separation. We report two competing ground-state candidates for stoichiome…
Engineering Quantum Phases in Two Dimensions via Vacancy-Induced Electronic Reconstruction
Ilum School of Science, Brazilian Center for Research in Energy and Materials (CNPEM)（ILUM科学学校，巴西能源与材料研究中心）；Instituto de Física, Universidade Federal do Rio de Janeiro（里约热内卢联邦大学物理研究所）
Hybrid semiconductor-superconductor InAs-Al nanowires with uniform and defect-free crystal interfaces are one of the most promising candidates used in the quest for Majorana zero modes (MZMs). However, InAs nanowires often exhibit a high density of randomly distributed twin defects and stacking faults, which result in an uncontrolled and non-uniform InAs-Al interface. Furthermore, this type of disorder can create potential inhomogeneity in the wire, destroy the topological gap, and form trivial sub-gap states mimicking MZM in transport experiments. Further study shows that reducing the InAs na…
