Wujun Shi, Benjamin J. Wieder, H. L. Meyerheim, Yan Sun, Yang Zhang, Yiwei Li, Lei Shen, Yanpeng Qi, Lexian Yang, Jagannath Jena, Peter Werner, Klaus Koepernik,… 展开作者
Wujun Shi, Benjamin J. Wieder, H. L. Meyerheim, Yan Sun, Yang Zhang, Yiwei Li, Lei Shen, Yanpeng Qi, Lexian Yang, Jagannath Jena, Peter Werner, Klaus Koepernik, Stuart Parkin, Yulin Chen, Claudia Felser, B. Andrei Bernevig, Zhijun Wang
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Final version, 14 pg main text + 28 pg supplement, 5 + 16 figures
Topological physics and strong electron-electron correlations in quantum materials are typically studied independently. However, there have been rapid recent developments in quantum materials in which topological phase transitions emerge when the single-particle band structure is modified by strong interactions. We here demonstrate that the room-temperature phase of (TaSe$_4$)$_2$I is a Weyl semimetal with 24 pairs of Weyl nodes. Owing to its quasi-1D structure, (TaSe$_4$)$_2$I hosts an established CDW instability just below room temperature. Using X-ray diffraction, angle-resolved photoemission spectroscopy, and first-principles calculations, we find that the CDW in (TaSe$_4$)$_2$I couples the bulk Weyl points and opens a band gap. The correlation-driven topological phase transition in (TaSe$_4$)$_2$I provides a route towards observing condensed-matter realizations of axion electrodynamics in the gapped regime, topological chiral response effects in the semimetallic phase, and represents an avenue for exploring the interplay of correlations and topology in a solid-state material.
We report an above-room-temperature ferromagnetic state realized in a proximitized Dirac semimetal, which is fabricated by growing typical Dirac semimetal Cd$_3$As$_2$ films on a ferromagnetic garnet with strong perpendicular magnetization. Observed anomalous Hall conductivity with substantially large Hall angles is found to be almost proportional to magnetization and opposite in sign to it. Theoretical calculations based on first-principles electronic structure also demonstrate that the Fermi-level dependent anomalous Hall conductivity reflects the Berry curvature originating in the split Wey…
Layered three-dimensional (3D) topological semimetals have attracted intensively attention due to the exotic phenomena and abundantly tunable properties. Here we report the experimental evidence for the 3D topological semimetal phase in layered material TaNiTe5 single crystals through quantum oscillations. Strong quantum oscillations have been observed with diamagnetism background in TaNiTe5. By analyzing the de Haas-van Alphen oscillations, multi-periodic oscillations were extracted, in content with magnetotransport measurements. Moreover, nontrivial "π" Berry phase with 3D Fermi surface is i…
Magnetic topological semimetals (TSMs) are topological quantum materials with broken time-reversal symmetry (TRS) and isolated nodal points or lines near the Fermi level. Their topological properties would typically reveal from the bulk-edge correspondence principle as nontrivial surface states such as Fermi arcs or drumhead states, etc. Depending on the degeneracies and distribution of the nodes in the crystal momentum space, TSMs are usually classified into Weyl semimetals (WSMs), Dirac semimetals (DSMs), nodal-line semimetals (NLSMs), triple-point semimetals (TPSMs), etc. In this review art…
Unconventional surface states protected by non-trivial bulk orders are sources of various exotic quantum transport in topological materials. One prominent example is the unique magnetic orbit, so-called Weyl orbit, in topological semimetals where two spatially separated surface Fermi-arcs are interconnected across the bulk. The recent observation of quantum Hall states in Dirac semimetal Cd3As2 bulks have drawn attention to the novel quantization phenomena possibly evolving from the Weyl orbit. Here we report surface quantum oscillation and its evolution into quantum Hall states in Cd3As2 thin…
Dirac semimetal is a class of semi-metallic phase protected by certain types of crystalline symmetries, and its low-energy effective Hamiltonian is described by Dirac equations in three dimensions (3D). Despite of various theoretical studies, theories that describe the topological nature of Dirac semimetals have not been well established. In this work, we define a topological invariant for 3D Dirac semimetals by establishing a mapping between a 3D Dirac semimetal and a topological crystalline insulator in four dimension (4D). We demonstrate this scheme by constructing a tight-binding model for…
In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not straightforward to find these topological semimetals by ab initio calculations because the band structure is usually calculated only along high-symmetry lines. In this paper, we review recent studies on topological semimetals by ab initio calculations. We explain theoretical frameworks which can be used for the search for topological semimetal materials, and some…
Electronic structures of Ge$_{1-x}$Sn$_{x}$ alloys (0 $\leq$ $x$ $\leq$ 1) are theoretically studied by nonlocal empirical pseudopotential method. For relaxed Ge$_{1-x}$Sn$_{x}$, a topological semimetal is found for $\textit x$ $>$ 41$\%$ with gapless and band inversion at $Γ$ point, while there is an indirect-direct bandgap transition at $x$ = 8.5$\%$. For strained Ge$_{1-x}$Sn$_{x}$ on a Ge substrate, semimetals with a negative indirect bandgap appear for $x$ $>$ 43$\%$, and the strained Ge$_{1-x}$Sn$_{x}$ on Ge is always an indirect bandgap semiconductor for $x$ $<$ 43$\%$. With appropriate…
Initiated by the discovery of topological insulators, topologically non-trivial materials have attracted immense interest in the physics community in the past decade. One of the latest additions to the field, the material class of topological semimetals, has grown at an extremely fast rate . While the prototype of a topological semimetal, graphene, has been known for a while, the first 3D analogues of graphene have only been discovered recently. This review, written from a chemistry perspective, intends to make the growing field of topological semimetals accessible to the wider community of ma…
Topological semimetals, including Dirac semimetals, Weyl semimetals, and nodal line semimetals, receive enormous research interest due to their intrinsic topological nature and fascinating properties. In present work, with the help of density functional theory (DFT), we find that nodal line semimetals and Dirac semimetals can coexist in the low energy electron of two dimensional (2D) monolayer B2C. Intriguingly, besides type-I and type-II Dirac fermions, a kind of open nodal line appears around the Fermi level. The low energy electronic nature of B2C sheet can be described by a tight-binding (…
Recognized as elementary particles in the standard model,Weyl fermions in condensed matter have received growing attention. However, most of the previously reportedWeyl semimetals exhibit rather complicated electronic structures that, in turn, may have raised questions regarding the underlying physics. Here, we report for the first time promising topological phases that can be realized in specific honeycomb lattices, including ideal Weyl semimetal structures, 3D strong topological insulators, and nodal-line semimetal configurations. In particular, we highlight a novel semimetal featuring both …
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--360 GPa display nontrivial semimetallic electronic structure. Specifically, these high-pressure phases exhibit Fermi pockets which are degenerate over a loop in $\boldsymbol{k}$-space, around which an encircling $\bm k$-space path is threaded by $\pm π$ Berry phase. Accordingly, these dense lithium phases are topological nodal loop semimetals involving a single light element.
Topological states of matter and their corresponding properties are classical research topics in condensed matter physics. Quite recently, the application of materials that feature these states has been extended to the field of electrochemical catalysis and become an emerging research topic that is receiving increasing interest. In particular, several recent experimental studies performed on topological semimetals have already revealed high catalytic performance towards hydrogen evolution reaction (HER), strongly promoting acceptance of the fresh concept of the topological catalyst. This emerg…
We review recent theoretical progress in the understanding and prediction of novel topological semimetals. Topological semimetals define a class of gapless electronic phases exhibiting topologically stable crossings of energy bands. Different types of topological semimetals can be distinguished based on the degeneracy of the band crossings, their codimension (e.g., point or line nodes), as well as the crystal space group symmetries on which the protection of stable band crossings relies. The dispersion near the band crossing is a further discriminating characteristic. These properties give ris…
Topological insulators and topological semimetals are both new classes of quantum materials, which are characterized by surface states induced by the topology of the bulk band structure. Topological Dirac or Weyl semimetals show linear dispersion round nodes, termed the Dirac or Weyl points, as the three-dimensional analogue of graphene. We review the basic concepts and compare these topological states of matter from the materials perspective with a special focus on Weyl semimetals. The TaAs family is the ideal materials class to introduce the signatures of Weyl points in a pedagogical way, fr…
The studies of topological insulators and topological semimetals have been at frontiers of condensed matter physics and material science. Both classes of materials are characterized by robust surface states created by the topology of the bulk band structures and exhibit exotic transport properties. When magnetism is present in topological materials and breaks the time-reversal symmetry, more exotic quantum phenomena can be generated, e.g. quantum anomalous Hall effect, axion insulator, large intrinsic anomalous Hall effect, etc. In this research update, we briefly summarize the recent research…
By means of systematically first-principles calculations and model analysis, a complete phase diagram of the body-centered silicon(BC8-Si) via lattice constant a and internal atomic coordinate x is explored, which demonstrates that BC8-Si is a topological Luttinger semimetal(LSM) accompanied with topologically nontrivial surface states, and the electronic properties of BC8-Si can be further tuned to a normal insulator or topological Dirac semimetal by very tiny changing of a and x. These results successfully explain the contradictory transport reports of BC8-Si. More importantly, the topologic…
A topological flatband, also known as drumhead states, is an ideal platform to drive new exotic topological quantum phases. Using angle-resolved photoemission spectroscopy experiments, we reveal the emergence of a highly localized possible drumhead surface state in a topological semimetal BaAl4 and provide its full energy and momentum space topology. We find that the observed surface state is highly localized in momentum, inside a square-shaped bulk Dirac nodal loop, and in energy, leading to a flat band and a peak in the density of state. These results establish this class of materials as a p…
Three-dimensional (3D) topological semimetals represent a new class of topological matters. The study of this family of materials has been at the frontiers of condensed matter physics, and many breakthroughs have been made. Several topological semimetal phases, including Dirac semimetals (DSMs), Weyl semimetals (WSMs), nodal-line semimetals (NLSMs), and triple-point semimetals, have been theoretically predicted and experimentally demonstrated. The low-energy excitation around the Dirac/Weyl nodal points, nodal line, or triply degenerated nodal point can be viewed as emergent relativistic fermi…
We report the experimental realization of Dirac semimetal state in NdSb, a material with antiferromagnetic ground state. The occurrence of topological semimetal state has been well supported by our band structure calculations and the experimental observation of chiral anomaly induced negative magnetoresistance. A field-induced Fermi surface reconstruction is observed, in response to the change of spin polarization. The observation of topological semimetal state in a magnetic material provides an opportunity to investigate the magneto-topological phenomena.
In topological semimetals the Dirac points can form zero-dimensional and one-dimensional manifolds, as predicted for Dirac/Weyl semimetals and topological nodal line semimetals, respectively. Here, based on first-principles calculations, we predict a topological nodal line semimetal phase in the two-dimensional compounds $X_2Y$ ($X$=Ca, Sr, and Ba; $Y$=As, Sb, and Bi) in the absence of spin-orbit coupling (SOC) with a band inversion at the M point. The mirror symmetry as well as the electrostatic interaction, that can be engineered via strain, are responsible for the nontrivial phase. In addit…
Topological nodal semimetals are known to host a variety of fascinating electronic properties due to the topological protection of the band-touching nodes. Neutron scattering, despite its power in probing elementary excitations, has not been routinely applied to topological semimetals, mainly due to the lack of an explicit connection between the neutron response and the signature of topology. In this work, we theoretically investigate the role that neutron scattering can play to unveil the topological nodal features: a large magnetic neutron response with spectral non-analyticity can be genera…
Characterized by bulk Dirac or Weyl cones and surface Fermi-arc states, topological semimetals have sparked enormous research interest in recent years. The nanostructures, with large surface-to-volume ratio and easy field-effect gating, provide ideal platforms to detect and manipulate the topological quantum states. Exotic physical properties originating from these topological states endow topological semimetals attractive for future topological electronics (topotronics). For example, the linear energy dispersion relation is promising for broadband infrared photodetectors, the spin-momentum lo…
Topological semimetals recently stimulate intense research activities. Combining first-principles calculations and effective model analysis, we predict that CaTe is topological node-line semimetal when spin-orbit coupling (SOC) is ignored. We also obtain the nearly flat surface state which has the drumhead characteristic. When SOC is included, three node lines evolve into a pair of Dirac points along the $M-R$ line. These Dirac points are robust and protected by $C_{4}$ rotation symmetry. Once this crystal symmetry is broken, the Dirac points will be eliminated, and the system becomes a strong…
We find that the vortex bound states in superconducting topological semimetals are gapless owing to topological massless excitations in their normal states. We demonstrate this universal result in a variety of semimetals including Dirac and Weyl semimetals, threefold degenerate spin-1 fermions, spin-3/2 Rarita-Schwinger-Weyl fermion semimetals and other exotic fermion semimetals. The formation of these gapless bound states are closely related to their Andreev specular reflection and propagating Andreev modes in $π$ phase superconductor-normal metal-superconductor (SNS) junctions. We further de…
Adler-Bell-Jackiw chiral anomaly is a representative feature arising from the topological nature in topological semimetal. We report the first experimental observation of giant planar Hall effect in type-II Weyl semimetal WTe2. Our comprehensive analyes of the experimental data demonstrate that the detected planar Hall effect is originated from the chiral anomaly of Weyl fermions. Unlike the somewhat elusive negative magnetoresistance, the planar Hall effect is robust and easy to be detected in type-II Weyl semimetal. This work reveals that the planar Hall effect is an effective transport prob…
Topological 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…
Dirac, triple-point and Weyl fermions represent three topological semimetal phases, characterized with a descending degree of band degeneracy, which have been realized separately in specific crystalline materials with different lattice symmetries. Here we demonstrate an alloy engineering approach to realize all three types of fermions in one single material system of MgTa$_{2-x}$Nb$_x$N$_3$. Based on symmetry analysis and first-principles calculations, we map out a phase diagram of topological order in the parameter space of alloy concentration and crystalline symmetry, where the intrinsic MgT…
Three dimensional materials with strong spin-orbit coupling and magnetic interactions represent an opportunity to realize a variety of rare and potentially useful topological phases. In this work, we use first principles calculations to show that the recently synthesized material Bi2MnSe4 displays a combination of band inversion and magnetic interactions, leading to several topological phases. Bi2PbSe4, also studied, also displays band inversion and is a topological insulator. In bulk form, the ferromagnetic phase of Bi2MnSe4 is either a nodal line or Weyl semimetal, depending on the direction…
We report a combined experimental and theoretical study of the candidate type-II Weyl semimetal MoTe2. Using laser-based angle-resolved photoemission we resolve multiple distinct Fermi arcs on the inequivalent top and bottom (001) surfaces. All surface states observed experimentally are reproduced by an electronic structure calculation for the experimental crystal structure that predicts a topological Weyl semimetal state with 8 type-II Weyl points. We further use systematic electronic structure calculations simulating different Weyl point arrangements to discuss the robustness of the identifi…
There has been an upsurge in the discovery of topological quantum materials, where various topological insulators and semimetals have been theoretically predicted and experimentally observed. However, only very few of them contains silicon, the most widely used element in electronic industry. Recently, ternary compound CaAl2Si2 has been predicted to be a topological Dirac semimetal, hosting Lorentz-symmetry-violating quasiparticles with a strongly tilted conical band dispersion. In this work, by using high-resolution angle-resolved photoemission spectroscopy (ARPES), we investigated the compre…
The concepts of Weyl fermions and topological semimetals emerging in three-dimensional momentum space are extensively explored owing to the vast variety of exotic properties that they give rise to. On the other hand, very little is known about semimetallic states emerging in two-dimensional magnetic materials, which present the foundation for both present and future information technology. Here, we demonstrate that including the magnetization direction into the topological analysis allows for a natural classification of topological semimetallic states that manifest in two-dimensional ferromagn…
We study the time-development processes of spin and charge transport phenomena in a topological Dirac semimetal attached to a ferromagnetic insulator with a precessing magnetization. Compared to conventional normal metals, topological Dirac semimetals manifest a large inverse spin Hall effect when a spin current is pumped from the attached ferromagnetic insulator. It is shown that the induced charge current is semi-quantized, i.e., it depends only on the distance between the two Dirac points in momentum space and hardly depends on the disorder strength when the system remains in the topologica…
Based on first-principles study, we report the finding of a new topological semimetal LiBaBi in half-Heusler phase. The remarkable feature of this nonmagnetic, inversion-symmetry-breaking material is that it consists of only simple $s$- and $p$-block elements. Interestingly, the material is ordinary insulator in the absence of spin-orbit coupling (SOC) and becomes nodal-surface topological semimetal showing drumhead states when SOC is included. This is in stark contrast to other nodal-line and nodal-surface semimetals, where the extended nodal structure is destroyed once SOC is included. Impor…
The resistance bottleneck in metal-interconnect scaling calls for new interconnect materials. This paper explores topological semimetals as a potential solution. After reviewing the desirable properties of topological semimetals for back-end-of-line (BEOL) interconnects, we use CoSi as an example to demonstrate the decreasing resistance-area product with scaling and provide material-search guidelines.
Topological Dirac semimetals are a class of semimetals that host symmetry-protected Dirac points near the Fermi level, which arise due to a band inversion of the conduction and valence bands. In this work, we study the less explored class of \emph{noncentrosymmetric} topological Dirac semimetals in three dimensions. We identify the noncentrosymmetric crystallographic point groups required to stabilize fourfold degenerate band crossings and derive model Hamiltonians for all distinct types of band inversions allowed by symmetry. Using these model Hamiltonians, which emphasize the physical nature…
In this report, we demonstrate that the energy gap in Cr-doped Bi2Se3 closes and reopens in oscillatory fashion with increasing sample thickness indicating the topological quantum phase transition driven by the quantum finite size effect. The pattern of the oscillation provides an evidence that Cr-doped Bi2Se3 can have a Dirac semimetal state depending on the sample thickness and Cr-content. This resolves the puzzle of non-magnetic gap opening at the Dirac point of topological insulators. An energy gap can be opened due to the quantum finite size confinement of the bands in Dirac semimetal sta…
We reveal a class of three-dimensional $d$-orbital topological materials in the antifluorite Cu$_2$S family. Derived from the unique properties of low-energy $t_{2g}$ states, their phases are solely determined by the sign of spin-orbit coupling (SOC): topological insulator for negative SOC, whereas topological semimetal for positive SOC; both having Dirac-cone surface states but with contrasting helicities. With broken inversion symmetry, the semimetal becomes one with a nodal box consisting of butterfly-shaped nodal lines that are robust against SOC. Further breaking the tetrahedral symmetry …
The magnetotransport properties in antiferromagnetic half-Heusler single crystals of TbPtBi, a magnetic-field-induced topological semimetal with simple band structure, are investigated. We found that a nonmonotonic magnetic field dependence of the anomalous Hall resistivity in a high magnetic field (B>7T), which come from the change of band structure induced by the Zeeman-like splitting when applying the external magnetic field. The experiment results show that credible anomalous Hall resistivity and conductivity reach up to 0.6798mΩcm and 125Ω-1cm-1, respectively. A large AHA up to 33% is obt…
Magnetic topological semimetals, the latest member of topological quantum materials, are attracting extensive attention as they may lead to topologically-driven spintronics. Currently, magnetotransport investigations on these materials are focused on anomalous Hall effect. Here, we report on the magnetoresistance anisotropy of topological semimetal CeBi, which has tunable magnetic structures arising from localized Ce 4f electrons and exhibits both negative and positive magnetoresistances, depending on the temperature. We found that the angle dependence of the negative magnetoresistance, regard…
Topological insulators are characterized by an inverted band structure in the bulk and metallic surface states on the surface. In LaBi, a semimetal with a band inversion equivalent to a topological insulator, we observe surface state like behavior in the magnetoresistance. The electrons responsible for this pseudo two dimensional transport, however, originate from the bulk states rather topological surface states, which is witnessed by the angle dependent quantum oscillations of the magnetoresistance and ab initio calculations. As a consequence, the magnetoresistance exhibits strong anisotropy…
Recent experimental breakthrough in magnetic Weyl semimetals have inspired exploration on the novel effects of various magnetic structures in these materials. Here we focus on a domain wall structure which connects two uniform domains with different magnetization directions. We study the topological superconducting state in presence of an s-wave superconducting pairing potential. By tuning the chemical potential, we can reach a topological state, where a chiral Majorana mode or zero-energy Majorana bound state is localized at the edges of the domain walls. This property allows a convenient bra…
Magnetic susceptibility of the topological Weyl, type-II Weyl, Dirac, and line node semimetals is theoretically investigated. Dependences of this susceptibility on the chemical potential, temperature, direction and magnitude of the magnetic field are found. The obtained results show that magnetic measurements can be very useful in investigating these semimetals. As an example, we calculate magnetic susceptibility of Cd$_3$As$_2$, Na$_3$Bi, and Ca$_3$P$_2$.
The application of pressure has been demonstrated to induce intriguing phase transitions in topological nodal-line semimetals. In this work we analyze how uniaxial pressure affects the topological character of BaSn2 , a Dirac nodal-line semimetal in the absence of spin-orbit coupling. Using calculations based on the density functional theory and a model tight-binding Hamiltonian, we find the emergence of a second nodal line for pressures higher than 4 GPa. We examine the topological features of both phases demonstrating that a nontrivial character is present in both of them. Thus, providing ev…
The discovery of Weyl and Dirac semimetals has produced a number of dramatic physical effects, including the chiral anomaly and topological Fermi arc surface states. We point out that a very different but no less dramatic physical effect is also to be found in these materials: discrete scale invariance. This invariance leads to bound state spectra for Coulomb impurities that repeat when the binding energy is changed by a fixed factor, reminiscent of fractal behavior. We show that this effect follows from the peculiar dispersion relation in Weyl and Dirac semimetals. It is observed when such a …
The Weyl semimetal is a new quantum state of topological semimetal, of which topological surface states -- the Fermi arcs exist. In this paper, the Fermi arcs in Weyl semimetals are classified into two classes -- class-1 and class-2. Based on a tight-binding model, the evolution and transport properties of class-1/2 Fermi arcs are studied via the tilting strength of the bulk Weyl cones. The (residual) anomalous Hall conductivity of topological surface states is a physical consequence of class-1 Fermi arc and thus class-1 Fermi arc becomes a nontrivial topological property for hybrid or type-II…
We theoretically investigate the phase of the de Haas - van Alphen oscillations in topological line-node semimetals. In these semimetals the chemical potential of charge carriers can essentially depend on the magnetic field, and this dependence changes the phase of the oscillations as compared to the phase in a three-dimensional metal with a band-contact line. Our results elucidate recent experimental data on the Berry phase for certain electron orbits in ZrSiS, ZrSiTe, and ZrSiSe.
The field of two-dimensional topological semimetals, which emerged at the intersection of two-dimensional materials and topological materials, have been rapidly developing in recent years. In this article, we briefly review the progress in this field. Our focus is on the basic concepts and notions, in order to convey a coherent overview of the field. Some material examples are discussed to illustrate the concepts. We discuss the outstanding problems in the field that need to be addressed in future research.
Nodal-line semimetals are characterized by a kind of topologically nontrivial bulk-band crossing, giving rise to almost flat surface states. Yet, a direct evidence of the surface states is still lacking. Here we study theoretically impurity effects in topological nodal-line semimetals based on the T-matrix method. It is found that for a bulk impurity, some in-gap states may be induced near the impurity site, while the visible resonant impurity state can only exist for certain strength of the impurity potentials. For a surface impurity, robust resonant impurity states exist in a wide range of i…
Effective gravity and gauge fields are emergent properties intrinsic for low-energy quasiparticles in topological semimetals. Here, taking two Dirac semimetals as examples, we demonstrate that applied lattice strain can generate warped spacetime, with fascinating analogues in astrophysics. Particularly, we study the possibility of simulating black-hole/white-hole event horizons and gravitational lensing effect. Furthermore, we discover strain-induced topological phase transitions, both in the bulk materials and in their thin films. Especially in thin films, the transition between the quantum s…
