Topological Nodal Line Semimetal in Non-Centrosymmetric PbTaS_2

Topological semimetals are a new type of matter with one-dimensional Fermi lines or zero-dimensional Weyl or Dirac points in momentum space. Here using first-principles calculations, we find that the non-centrosymmetric PbTaS2 is a topological nodal line semimetal. In the absence of spin-orbit coupling(SOC), one band inversion happens around a high symmetrical H point, which leads to forming a nodal line. The nodal line is robust and protected against gap opening by mirror reflection symmetry even with the inclusion of strong SOC. In addition, it also hosts exotic drumhead surface states either inside or outside the projected nodal ring depending on surface termination. The robust bulk nodal lines and drumhead-like surface states with SOC in PbTaS_2 make it a potential candidate material for exploring the freakish properties of the topological nodal line fermions in condensed matter systems.     

Topological nodal line semimetals predicted from first-principles calculations

Topological semimetals are newly discovered states of quantum matter, which have extended the concept of topological states from insulators to metals and attracted great research interest in recent years. In general, there are three kinds of topological semimetals, namely Dirac semimetals, Weyl semimetals, and nodal line semimetals. Nodal line semimetals can be considered as precursor states for other topological states. For example, starting from such nodal line states, the nodal line structure might evolve into Weyl points, convert into Dirac points, or become a topological insulator by introducing the spin–orbit coupling (SOC) or mass term. In this review paper, we introduce theoretical materials that show the nodal line semimetal state, including the all-carbon Mackay–Terrones crystal (MTC), anti-perovskite Cu₃PdN, pressed black phosphorus, and the CaP₃ family of materials, and we present the design principles for obtaining such novel states of matter.     

Intrinsic magnetic topological materials

Topological states of matter possess bulk electronic structures categorized by topological invariants and edge/surface states due to the bulk-boundary correspondence. Topological materials hold great potential in the development of dissipationless spintronics, information storage and quantum computation, particularly if combined with magnetic order intrinsically or extrinsically. Here, we review the recent progress in the exploration of intrinsic magnetic topological materials, including but not limited to magnetic topological insulators, magnetic topological metals, and magnetic Weyl semimetals. We pay special attention to their characteristic band features such as the gap of topological surface state, gapped Dirac cone induced by magnetization (either bulk or surface), Weyl nodal point/line and Fermi arc, as well as the exotic transport responses resulting from such band features. We conclude with a brief envision for experimental explorations of new physics or effects by incorporating other orders in intrinsic magnetic topological materials.     

磁场中拓扑物态的量子输运

拓扑物态包括拓扑绝缘体、拓扑半金属以及拓扑超导体.拓扑物态奇异的能带结构以及受拓扑保护的新奇表面态,使其具有了独特的输运性质.拓扑半金属作为物质的一种三维拓扑态具有无能隙的准粒子激发,根据导带和价带的接触类型分为外尔半金属、狄拉克半金属和节线半金属.本文以拓扑半金属为主回顾了在磁场下拓扑物态中量子输运的最新工作,在不同的磁场范围内分别给出了描述拓扑物态输运行为的主要理论.     

Topological nodal line semimetals

We review the recent,mainly theoretical,progress in the study of topological nodal line semimetals in three dimensions.In these semimetals,the conduction and the valence bands cross each other along a one-dimensional curve in the three-dimensional Brillouin zone,and any perturbation that preserves a certain symmetry group(generated by either spatial symmetries or time-reversal symmetry) cannot remove this crossing line and open a full direct gap between the two bands.The nodal line(s) is hence topologically protected by the symmetry group,and can be associated with a topological invariant.In this review,(ⅰ) we enumerate the symmetry groups that may protect a topological nodal line;(ⅱ) we write down the explicit form of the topological invariant for each of these symmetry groups in terms of the wave functions on the Fermi surface,establishing a topological classification;(ⅲ) for certain classes,we review the proposals for the realization of these semimetals in real materials;(ⅳ) we discuss different scenarios that when the protecting symmetry is broken,how a topological nodal line semimetal becomes Weyl semimetals,Dirac semimetals,and other topological phases;and(ⅴ) we discuss the possible physical effects accessible to experimental probes in these materials.     

Pressure-induced Lifshitz transition in the type Ⅱ Dirac semimetal PtTe_2

Numerous exotic properties have been discovered in Dirac Semimetals(DSMs) and Weyl Semimetals(WSMs). In a given DSM/WSM, the Dirac/Weyl nodes usually coexist with other bulk states, making their respective contribution elusive. In this work, we distinguish the role of bulk states from the tilted Dirac nodes on the transport properties in DSMs. Specifically, we applied pressure to a type-II DSM material, PtTe2, and studied its pressure modified electronic and lattice structure systematically by using in situ transport measurements and X-ray diffraction(XRD). A pressure-induced transition at about 20 GPa is revealed in the transport properties, while the layered lattice structure is robust against pressure as illustrated in XRD measurement results.Density functional theory(DFT) calculations suggest that this is originated from the Lifshitz transition in the bulk states. Our findings provide evidence to identify the bulk states' influence on transport from the topologically-protected DSM states in the DSM material.     

Fermi surface and anisotropic spin-orbit coupling of Sb(111) studied by angle-resolved photoemission spectroscopy

High-resolution angle-resolved photoemission spectroscopy has been performed on Sb(111) to elucidate the origin of anomalous electronic properties in group-V semimetal surfaces. The surface was found to be metallic despite the semimetallic character of bulk. We clearly observed two surface-derived Fermi surfaces which are likely spin split, demonstrating that the spin-orbit interaction plays a dominant role in characterizing the surface electronic states of group-V semimetals. The universality or dissimilarity of the electronic structure in Bi and Sb is discussed in relation to the granular superconductivity, electron-phonon coupling, and surface charge or spin density wave.     

Non-Monotonic Evolution of Carrier Density and Mobility under Thermal Cycling Treatments in Dirac Semimetal Cd_3As_2 Microbelts

Tunable carrier density plays a key role in the investigation of novel transport properties in three-dimensional topological semimetals.We demonstrate that the carrier density,as well as the mobility,of Dirac semimetal Cd_3As_2 nanoplates can be effectively tuned via in situ thermal treatment at 350 K for one hour,resulting in non-monotonic evolution by virtue of the thermal cycling treatments.The upward shift of Fermi level relative to the Dirac nodes blurs the surface Fermi-arc states,accompanied by an anomalous phase shift in the oscillations of bulk states,due to a change in the topology of the electrons.Meanwhile,the oscillation peaks of bulk longitudinal magnetoresistivity shift at high fields,due to their coupling to the oscillations of the surface Fermi-arc states.Our work provides a thermal control mechanism for the manipulation of quantum states in Dirac semimetal Cd_3As_2 at high temperatures,via their carrier density.     

Electron transport in Dirac and Weyl semimetals

Recently, the Dirac and Weyl semimetals have attracted extensive attention in condensed matter physics due to both the fundamental interest and the potential application of a new generation of electronic devices. Here we review the exotic electrical transport phenomena in Dirac andWeyl semimetals. Section 1 is a brief introduction to the topological semimetals(TSMs). In Section 2 and Section 3, the intriguing transport phenomena in Dirac semimetals(DSMs) andWeyl semimetals(WSMs) are reviewed, respectively. The most widely studied Cd_3A_(s2) and the TaAs family are selected as representatives to show the typical properties of DSMs and WSMs, respectively. Beyond these systems, the advances in other TSM materials,such as ZrTe_5 and the MoTe_2 family, are also introduced. In Section 4, we provide perspectives on the study of TSMs especially on the magnetotransport investigations.     

Topological hinge modes in Dirac semimetals

Dirac semimetals (DSMs) are an important class of topological states of matter. Here, focusing on DSMs of band inversion type, we investigate their boundary modes from the effective model perspective. We show that in order to properly capture the boundary modes, k-cubic terms must be included in the effective model, which would drive an evolution of surface degeneracy manifold from a nodal line to a nodal point. Sizable k-cubic terms are also needed for better exposing the topological hinge modes in the spectrum. Using first-principles calculations, we demonstrate that this feature and the topological hinge modes can be clearly exhibited in β-CuI. We extend the discussion to magnetic DSMs and show that the time-reversal symmetry breaking can gap out the surface bands and hence is beneficial for the experimental detection of hinge modes. Furthermore, we show that magnetic DSMs serve as a parent state for realizing multiple other higher-order topological phases, including higher-order Weyl-point/nodal-line semimetals and higher-order topological insulators.     

Surface scattering via bulk continuum states in the 3D topological insulator Bi2Se3

We have performed scanning tunneling microscopy and differential tunneling conductance (dI/dV) mapping for the surface of the three-dimensional topological insulator Bi(2)Se(3). The fast Fourier transformation applied to the dI/dV image shows an electron interference pattern near Dirac node despite the general belief that the backscattering is well suppressed in the bulk energy gap region. The comparison of the present experimental result with theoretical surface and bulk band structures shows that the electron interference occurs through the scattering between the surface states near the Dirac node and the bulk continuum states.     

Electronic states with nontrivial topology in Dirac materials

The theoretical studies of phase states with a linear dispersion of the spectrum of low-energy electron excitations have been reviewed. Some main properties and methods of experimental study of these states in socalled Dirac materials have been discussed in detail. The results of modern studies of symmetry-protected electronic states with nontrivial topology have been reported. Combination of approaches based on geometry with homotopic topology methods and results of condensed matter physics makes it possible to clarify new features of topological insulators, as well as Dirac and Weyl semimetals.     

Electronic structure,Dirac points and Fermi arc surface states in three-dimensional Dirac semimetal Na_3Bi from angle-resolved photoemission spectroscopy

The three-dimensional(3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction band and valence band are connected. They have isolated 3D Dirac nodes in the whole Brillouin zone and can be viewed as a 3D counterpart of graphene. Recent theoretical calculations and experimental results indicate that the 3D Dirac semimetal state can be realized in a simple stoichiometric compound A_3Bi(A = Na, K, Rb). Here we report comprehensive high-resolution angle-resolved photoemission(ARPES) measurements on the two cleaved surfaces,(001) and(100), of Na_3Bi. On the(001) surface, by comparison with theoretical calculations, we provide a proper assignment of the observed bands, and in particular, pinpoint the band that is responsible for the formation of the three-dimensional Dirac cones. We observe clear evidence of 3D Dirac cones in the three-dimensional momentum space by directly measuring on the k_x–k_y plane and by varying the photon energy to get access to different out-of-plane k_zs. In addition, we reveal new features around the Brillouin zone corners that may be related with surface reconstruction. On the(100) surface, our ARPES measurements over a large momentum space raise an issue on the selection of the basic Brillouin zone in the(100) plane. We directly observe two isolated 3D Dirac nodes on the(100) surface. We observe the signature of the Fermi-arc surface states connecting the two 3D Dirac nodes that extend to a binding energy of ~150 me V before merging into the bulk band. Our observations constitute strong evidence on the existence of the Dirac semimetal state in Na_3Bi that are consistent with previous theoretical and experimental work. In addition, our results provide new information to clarify on the nature of the band that forms the3 D Dirac cones, on the possible formation of surface reconstruction of the(001) surface, and on the issue of basic Brillouin zone selection for the(100) surface.     

Theory of magnetic oscillations in Weyl semimetals

Weyl semimetals are a new class of Dirac material that possesses bulk energy nodes in three dimensions, in contrast to two dimensional graphene. In this paper, we study a Weyl semimetal subject to an applied magnetic field. We find distinct behavior that can be used to identify materials containing three dimensional Dirac fermions. We derive expressions for the density of states, electronic specific heat, and the magnetization. We focus our attention on the quantum oscillations in the magnetization. We find phase shifts in the quantum oscillations that distinguish the Weyl semimetal from conventional three dimensional Schrödinger fermions, as well as from two dimensional Dirac fermions. The density of states as a function of energy displays a sawtooth pattern which has its origin in the dispersion of the three dimensional Landau levels. At the same time, the spacing in energy of the sawtooth spike goes like the square root of the applied magnetic field which reflects the Dirac nature of the fermions. These features are reflected in the specific heat and magnetization. Finally, we apply a simple model for disorder and show that this tends to damp out the magnetic oscillations in the magnetization at small fields.     

Evidence of anisotropic Landau level splitting in topological semimetal ZrSiS under high magnetic fields

Magneto-transport study has been performed in topological semimetal ZrSiS single crystals under high pulsed magnetic fields. Obvious dependence of Landau level splitting on temperature and angular was investigated. The strong three-dimensional anisotropic nature of Landau level splitting under high pulsed magnetic fields was revealed by the angular dependent measurements, in which the orbital contribution is more dominant than Zeeman splitting. Our studies provide more insights into the physical properties of topological semimetals ZrSiS and shed light on future spintronic applications of ZrSiS.     

Electronic transport in graphene nanoribbons with disorder look at the pseudo-spin polarization: Dirac versus tight-binding model

We have compared results of electronic transport using two different approaches: Dirac vs tight-binding (TB) Hamiltonians to assesses disorder-induced effects in graphene nanoribbons. We apply the proposed Hamiltonians to calculate the density of states, the transmission along the ribbon, and the pseudo-spin polarization (P(E)) in metallic armchair graphene nanoribbons. We clearly show differences between these two approaches in the interference processes, especially in the low-lying energy limit, when the systems are found in the presence of random impurities (disorder). This allows us to find fingerprints associated with each model used. As the disorder increases, more robust electronic transmission (through polarized states in a given sublattice) arises when one is dealing with the Dirac model only. We also find with this model unexpected peaks in the P(E) far from the Dirac point for wider nanoribbons. In the other hand, the model TB show the Dirac limit with disturbances of the hyperboloid subbands for certain potentials of the impurities. In general, our study is indicating that a P(E) spectroscopy (analyzing the line width and intensity) can be used to detect fingerprints of the increase of asymmetry in the scattering processes and the transport limits where hyperboloid subbands are important.     

Effective models for nearly ideal Dirac semimetals

Topological materials (TMs) have gained intensive attention due to their novel behaviors compared with topologically trivial materials. Among various TMs, Dirac semimetal (DSM) has been studied extensively. Although several DSMs have been proposed and verified experimentally, the suitable DSM for realistic applications is still lacking. Thus finding ideal DSMs and providing detailed analyses to them are of both fundamental and technological importance. Here, we sort out 8 (nearly) ideal DSMs from thousands of topological semimetals in Nature 566(7745), 486 (2019). We show the concrete positions of the Dirac points in the Brillouin zone for these materials and clarify the symmetryprotection mechanism for these Dirac points as well as their low-energy effective models. Our results provide a useful starting point for future study such as topological phase transition under strain and transport study based on these effective models. These DSMs with high mobilities are expected to be applied in fabrication of functional electronic devices.     

Quantum transport properties of the three-dimensional Dirac semimetal Cd_3As_2 single crystals

The discovery of the three-dimensional Dirac semimetals have expanded the family of topological materials,and attracted massive attentions in recent few years.In this short review,we briefly overview the quantum transport properties of a well-studied three-dimensional Dirac semimetal,Cd_3As_2.These unusual transport phenomena include the unexpected ultra-high charge mobility,large linear magnetoresistivity,remarkable Shubnikov-de Hass oscillations,and the evolution of the nontrivial Berry's phase.These quantum transport properties not only reflect the novel electronic structure of Dirac semimetals,but also give the possibilities for their future device applications.     

New family of Dirac and Weyl semimetals in XAuTe (X = Na,K, Rb) ternary honeycomb compounds

We propose a new family of 3D Dirac semimetals based on XAuTe(X = K, Na, Rb) ternary honeycomb compounds, determined based on first-principles calculations, which are shown to be topological Dirac semimetals in which the Dirac points are induced by band inversion. Dirac points with four-fold degeneracy that are protected by C3 rotation symmetry and located on the Γ-A high-symmetry path are found. Through spatial-inversion symmetry breaking, a K(Au0.5 Hg0.5)(Te0.5As0.5) superlattice structure composed of KHgAs and KAuTe compounds is proven to be a Weyl semimetal with type-II Weyl points, which connect electronand hole-like bands. In this superlattice structure, the six pairs of Weyl nodes are distributed along the K-Γ high-symmetry path on the kz = 0 plane. Our research expands the family of topological Dirac and type-II Weyl semimetals.     

反铁磁半金属 EuCd2Pn2（Pn = As,Sb）中磁交换诱导的外尔态

由于丰富的拓扑量子效应及巨大的潜在应用价值,拓扑材料逐渐成为凝聚态物理前沿的研究材料体系。其中,作为与石墨烯具有相似电子结构的材料,三维拓扑半金属吸引了越来越多的研究兴趣。目前已知的拓扑半金属大多为非磁性的,而磁性拓扑半金属数量有限,与非磁性拓扑半金属相比较,研究开展的还比较少。磁性与拓扑之间的相互作用能够导致非常规的物理性质,如反常霍尔效应甚至量子反常霍尔效应等。此外,在一些具有特殊磁结构的拓扑半金属中,施加外磁场能够调制其自旋结构,从而影响其拓扑能带结构。在该综述中,笔者将详细介绍利用外磁场在 EuCd2Pn2 (Pn = As, Sb) 反铁磁半金属材料中通过调制自旋结构从而改变晶体结构对称性来诱导拓扑相变。此外,笔者也将简单介绍包括 GdPtBi 和 MnBi2Te4 在内的几个相关材料。该综述中讨论的外磁场调控的磁交换诱导的拓扑相变不仅有望应用于拓扑器件,也有助于为理解磁性与拓扑态之间的紧密关联提供新的线索,对于设计新的磁性拓扑材料有启发意义。综述最后,笔者对发展磁性拓扑半金属做了一些简单展望。