We report the magnetoresistance(MR), de Haas-van Alphen (dHvA) oscillations and the electronic structures of single crystal PtGa. The large unsaturated MR is observed with the magnetic field B//[111]. Evident dHvA oscillations with B//[001] configuration have been observed, from which twelve fundamental frequencies are extracted and the spin-orbit coupling effect (SOC) induced band splitting is revealed. The light cyclotron effective masses are extracted from the fitting by the thermal damping term of the Lifshitz-Kosevich (LK) formula. Combining with the calculated frequencies from the first-principles calculations, the dHvA frequencies F$_1$/F$_3$ and F$_{11}$/F$_{12}$ are confirmed to originate from the electron pockets at $Γ$ and R, respectively. The first-principles calculations also reveal the existence of spin-3/2 RSW fermion and time-reversal (TR) doubling of the spin-1 excitation at $Γ$ and R with large Chern number $\pm4$ when SOC is included.
Non-symmorphic chiral topological crystals host exotic multifold fermions, and their associated Fermi arcs helically wrap around and expand throughout the Brillouin zone between the high-symmetry center and surface-corner momenta. However, Fermi-arc splitting and realization of the theoretically proposed maximal Chern number rely heavily on the spin-orbit coupling (SOC) strength. In the present work, we investigate the topological states of a new chiral crystal, PtGa, which has the strongest SOC among all chiral crystals reported to date. With a comprehensive investigation using high-resolutio…
The circular photogalvanic effect (CPGE) is the only possible quantized signal in Chiral Weyl and multi-fold semimetals with inversion and mirror symmetries broken. Here, we review CPGE in the chiral multifold semimetals in terms of classification of CPGE tensor, the quantization of CPGE from k.p effective model and topological semimetal RhSi family. Firstly, we give complete symmetric analysis of CPGE tensors for all nonmagnetic point groups, and get a table classifying matrix of response tensors. Secondly, the CPGE becomes a quantized response in the noncentrosymmetric topological semimetals…
Half topological states of matter and two-dimensional (2D) magnetism have gained much attention recently. In this paper, we propose a special topological semimetal phase called a 2D half Chern-Weyl semimetal (HCWS), which is a 2D magnetic Weyl semimetal bound to the half Chern insulator phase by symmetry, and the two phases can be converted to each other by manipulating the magnetization direction. We provide the symmetry conditions to realize this state in 2D systems with multiple screw axes. Tight-binding models with multiple basis and a predicted 2D material, monolayer TiTe, are shown as th…
Real topological phases featuring real Chern numbers and second-order boundary modes have been a focus of current research, but finding their material realization remains a challenge. Here, based on first-principles calculations and theoretical analysis, we reveal the already experimentally synthesized three-dimensional (3D) graphdiyne as the first realistic example of the recently proposed second-order real nodal-line semimetal. We show that the material hosts a pair of real nodal rings, each protected by two topological charges: a real Chern number and a 1D winding number. The two charges ge…
We report the magnetoresistance, Hall effect, de Haas-van Alphen (dHvA) oscillations and the electronic structures of single crystal RhSn, which is a typical material of CoSi family holding a large Chern number. The large unsaturated magnetoresistance is observed with B//[001]. The Hall resistivity curve indicates that RhSn is a multi-band system with high mobility. Evident quantum oscillations have been observed, from which the light effective masses are extracted. Ten fundamental frequencies are extracted after the fast Fourier transform analysis of the dHvA oscillations with B//[001] config…
We demonstrate that a Chern insulator could be realized on a real two-dimensional lattice of an organic Dirac semimetal α-(BEDT-TTF)2I3 by introducing potential and magnetic modulations in a unit cell. It is a topologically-nontrivial insulator which shows the quantum Hall effect even at zero magnetic field. We assumed a pattern of site potential and staggered plaquette magnetic flux on the lattice so as to imitate the observed stripe charge ordering pattern. When the magnetic modulation is sufficiently large, the system becomes a Chern insulator, where Berry curvatures around two gapped Dirac…
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…
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…
The physical realization of Chern insulators is of fundamental and practical interest, as they are predicted to host the quantum anomalous Hall effect (QAHE) and topologically protected chiral edge states which can carry dissipationless current. The realization of the QAHE state has however been challenging because of the complex heterostructures and sub-Kelvin temperatures required. Time-reversal symmetry breaking Weyl semimetals, being essentially stacks of Chern insulators with inter-layer coupling, may provide a new platform for the higher temperature realization of robust QAHE edge states…
We study what kind of topological crystalline insulator phase emerges from nodal line semimetal phases in the face-centered cubic system which is not indicated by topological indices when spin-orbit coupling (SOC) is introduced. We construct an effective model which hosts two different nodal lines phases, and calculated mirror Chern numbers in it by introducing SOC. As a result, we find that the two nodal line phases with different nodal line configurations are mapped to different topological crystalline insulator phases. This result shows that turning off SOC and checking the nodal line confi…
We investigate electromagnetic properties of a topological crystalline insulator (TCI) thin film under external electromagnetic fields. The TCI thin film is a topological insulator indexed by the mirror-Chern number. It is demonstrated that the gap closes together with the emergence of a pair of gapless cones carrying opposite chirarities by applying in-plane magnetic field. A pair of gapless points have opposite vortex numbers. This is a reminiscence of a pair of Weyl cones in 3D Weyl semimetal. We thus present an a magnetic-field induced semimetal-semiconductor transition in 2D material. Thi…
Exploration of the novel relationship between magnetic order and topological semimetals has received enormous interest in a wide range of both fundamental and applied research. Here we predict that soft ferromagnetic (FM) material EuB6 can achieve multiple topological semimetal phases by simply tuning the direction of the magnetic moment. Explicitly, EuB6 is a topological nodal-line semimetal when the moment is aligned along the [001] direction, and it evolves into a Weyl semimetal with three pairs of Weyl nodes by rotating the moment to the [111] direction. Interestingly, we identify a novel …
A three-dimensional (3D) Dirac semimetal is the 3D analog of graphene whose bulk band shows a linear dispersion relation in the 3D momentum space. Since each Dirac point with four-fold degeneracy carries a zero Chern number, a Dirac semimetal can be stable only in the presence of certain crystalline symmetries. In this work, we propose a general framework to classify stable 3D Dirac semimetals. Based on symmetry analysis, we show that various types of stable 3D Dirac semimetals exist in systems having the time-reversal, inversion, and uniaxial rotational symmetries. There are two distinct clas…
The real Chern insulator state, featuring nontrivial real Chern number and second-order boundary modes, has been revealed in a few two-dimensional systems. The concept can be extended to three dimensions (3D), but a proper material realization is still lacking. Here, based on first-principles calculations and theoretical analysis, we identify the recently synthesized bulk $γ$-graphyne as a 3D real Chern insulator. Its nontrivial bulk topology leads to topological hinge modes spreading across the 1D edge Brillouin zone. Under compression of the interlayer distance, the system can undergo a topo…
In spin-orbit coupled crystals, symmetries can protect multifold degeneracies with large Chern numbers and Brillouin zone spanning topological surface states. In this work, we explore the extent to which the nontrivial topology of chiral multifold fermions impacts the spin texture of bulk states. To do so, we formulate a definition of spin-momentum locking in terms of reduced density matrices. Using tools from the theory of topological quantum chemistry, we show how the reduced density matrix can be determined from the knowledge of the basis orbitals and band representation forming the multifo…
Coexistence of Chiral Majorana Edge States and Bogoliubov Fermi Surfaces in Two-Dimensional Nonsymmorphic Dirac Semimetal/Superconductor Heterostructures
Topological materials with both insulating and semimetal phases can be protected by crystalline (e.g. mirror) symmetry. The insulating phase, called topological crystalline insulator (TCI), has been intensively investigated and observed in three-dimensional materials. However, the predicted two-dimensional (2D) materials with TCI phase are explored much less than 3D TCIs and 2D topological insulator, while so far considered 2D TCIs almost exclusively possess a square lattice structure with the mirror Chern number $\mathcal C_{M} =-2$. Here, we predict theoretically that hexagonal monolayer of …
We propose a new topological quantum state of matter---the two-dimensional (2D) Weyl half semimetal (WHS), which features 2D Weyl points at Fermi level belonging to a single spin channel, such that the low-energy electrons are described by fully spin-polarized 2D Weyl fermions. We predict its realization in the ground state of monolayer PtCl$_3$. We show that the material is a half metal with an in-plane magnetization, and its Fermi surface consists of a pair of fully spin-polarized Weyl points protected by a mirror symmetry, which are robust against spin-orbit coupling. Remarkably, we show th…
We study topological properties of materials in the Ca$_2$As family without spin-orbit coupling (SOC) by combining the first-principles calculation and a tight-binding model calculation. As a result of the calculation, we reveal that the Ca$2_$As family consists of one insulator phase and three nodal line phases including an intersecting nodal ring phase, though one of the phases is not found with realistic material parameters. Additionally, we discuss what kind of nontrivial topological invariants will emerge from each nodal line phase when SOC is introduced. We also find a mapping from a nod…
There is a close connection between various new phenomena in Weyl semimetals and the existence of linear band crossings in the single particle description. We show, by a full self-consistent mean-field calculation, how this picture is modified in the presence of long-range Coulomb interactions. The chiral symmetry breaking occurs at strong enough interactions and the internode interband excitonic pairing channel is found to be significant, which determines the gap-opened band profile varying with interaction strength. Remarkably, in the resultant interacting phase, finite band Chern number jum…
We proposed that BaHgSn is a Dirac semimetal (DSM) which can host hourglass-like surface states (HSSs) as protected by nonsymmorphic glide symmetry. Compared to KHgSb, an isostructural topological crystalline insulator with the same HSSs, BaHgSn has an additional band inversion at $Γ$ point. This band inversion is induced by the stronger interlayer coupling among Hg-Sn honeycomb layers than that among Hg-Sb-layers in KHgSb, which leads to bulk Dirac nodes in BaHgSn along the layer stacking direction $Γ$-$A$. In addition, the mirror Chern number $C_{i}$ protected by the mirror plane $\overline{…
Higher-order topological phases and real topological phases are two emerging topics in topological states of matter, which have been attracting considerable research interest. However, it remains a challenge to find realistic materials that can realize these exotic phases. Here, based on first-principles calculations and theoretical analysis, we identify graphyne, the representative of the graphyne-family carbon allotropes, as a two-dimensional (2D) second-order topological insulator and a real Chern insulator. We show that graphyne has a direct bulk band gap at the three $M$ points, forming t…
The 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 …
Distinct to type-I Weyl semimetals (WSMs) that host quasiparticles described by the Weyl equation, the energy dispersion of quasiparticles in type-II WSMs violates Lorentz invariance and the Weyl cones in the momentum space are tilted. Since it was proposed that type-II Weyl fermions could emerge from (W,Mo)Te2 and (W,Mo)P2 families of materials, a large numbers of experiments have been dedicated to unveil the possible manifestation of type-II WSM, e.g. the surface-state Fermi arcs. However, the interpretations of the experimental results are very controversial. Here, using angle-resolved phot…
Based on first-principles calculations and symmetry analysis, we propose that a transition metal rutile oxide, in particular $β'$-PtO$_2$, can host a three-dimensional topological Dirac semimetal phase. We find that $β'$-PtO$_2$ possesses a linked nodal rings structure when spin-orbit coupling is neglected. Incorporating spin-orbit coupling gaps the nodal rings, while preserving a single pair of three-dimensional Dirac points protected by a screw rotation symmetry. This Dirac point is created by a band inversion of two $d$ bands, which is a realization of a DSM phase in correlated electron sys…
As the bulk single-crystal MoN2/ReN2 with a layered structure was successfully synthesized in experiment, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth-metal (Rem) elements and propose seven stable Rem dinitride monolayers with a 1T structure, namely 1T-RemN2. These monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC) effect, the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN2 monolayer shows an isotropic magnetic anisotropy e…
Topological insulators are a novel state of matter that share a common feature: their spectral bands are associated with a nonlocal integer-valued index, commonly manifesting through quantized bulk phenomena and robust boundary effects. In this work, we demonstrate using dimensional reduction that high-order topological insulators are descendants from a chiral semimetal in higher dimensions. Specifically, we analyze the descendants of an ancestor four-dimensional Chern insulator in the limit where it becomes chiral and show their relation to two-dimensional second-order topological insulators.…
In investigating the topological electronic structures of monolayer $α$-phase group V elements, we uncover a new topological phase, which is invisible in the symmetry-based topological quantum chemistry (TQC) as well as symmetry indicators (SIs). Since $α$ phase As and Sb share the same band representations at high-symmetry points, they are both trivial insulators in terms of TQC and SIs. We demonstrate, however, that there is a topological phase transition between As and Sb that involves a band-gap closing at two $k$-points on the high-symmetry $\rm{X}$-$\rmΓ$-$\rm{X}$ line. In the absence of…
The quantum anomalous Hall effect (QAHE) and magnetic Weyl semimetals (WSMs) are topological states induced by intrinsic magnetic moments and spin-orbit coupling. Their similarity suggests the possibility of achieving the QAHE by dimensional confinement of a magnetic WSM along one direction. In this study, we investigate the emergence of the QAHE in the two-dimensional (2D) limit of magnetic WSMs due to finite size effects in thin films and step-edges. We demonstrate the feasibility of this approach with effective models and real materials. To this end, we have chosen the layered magnetic WSM …
Real Chern insulators have attracted great interest, but so far, their material realization is limited to nonmagnetic crystals and to systems without spin-orbit coupling. Here, we reveal magnetic real Chern insulator (MRCI) state in a recently synthesized metal-organic framework material Co3(HITP)2. Its ground state with in-plane ferromagnetic ordering hosts a nontrivial real Chern number, enabled by the C2zT symmetry and robust against spin-orbit coupling. Distinct from previous nonmagnetic examples, the topological corner zero-modes of MRCI are spin-polarized. Furthermore, under small tensil…
We perform a detailed analysis of the magnetotransport and de Haas-van Alphen (dHvA) oscillations in crystal PdGa which is predicted to be a typical chiral Fermion semimetal from CoSi family holding a large Chern number. The unsaturated quadratic magnetoresistance (MR) and nonlinear Hall resistivity indicate that PdGa is a multi-band system without electron-hole compensation. Angle-dependent resistivity in PdGa shows weak anisotropy with twofold or threefold symmetry when the magnetic field rotates within the (1$\bar{1}$0) or (111) plane perpendicular to the current. Nine or three frequencies …
Time-reversal broken Weyl semimetals have attracted much attention recently, but certain aspects of their behavior, including the evolution of their Fermi surface topology and anomalous Hall conductivity with Fermi-level position, have remained underexplored. A promising route to obtain such materials may be to start with a nonmagnetic Dirac semimetal and break time-reversal symmetry via magnetic doping or magnetic proximity. Here we explore this scenario in the case of the Dirac semimetal Cd$_{3}$As$_{2}$, based on first-principles density-functional calculations and subsequent low-energy mod…
Chiral magnetic effect is a quantum phenomenon that is breaking of chiral symmetry of relativistic Weyl fermions by quantum fluctuation under paralleled electric field E and magnetic field B. Intuitively, Weyl fermions with different chirality, under stimulus of paralleled E and B, will have different chemical potential that gives rise to an extra current, whose role likes a chiral battery in solids. However, up to now, the experimental evidence for chiral magnetic effect is the negative longitudinal magnetoresistance rather than a chiral electric source. Here, totally different from previous …
Based on first principle calculations, we show that a family of nonmagnetic materials including TaAs, TaP, NbAs and NbP are Weyl semimetal (WSM) without inversion center. We find twelve pairs of Weyl points in the whole Brillouin zone (BZ) for each of them. In the absence of spin-orbit coupling (SOC), band inversions in mirror invariant planes lead to gapless nodal rings in the energy-momentum dispersion. The strong SOC in these materials then opens full gaps in the mirror planes, generating nonzero mirror Chern numbers and Weyl points off the mirror planes. The resulting surface state Fermi a…
Weyl nodes can be classified into zero-dimensional (0D) Weyl points (WPs), 1D Weyl nodal lines (WNL) and 2D Weyl nodal surfaces (WNS), which possess finite Chern numbers. Up to date, the largest Chern number of WPs identified in Weyl semimetals is 4, which is thought to be a maximal value for linearly crossing points in solids. On the other hand, whether the Chern numbers of nonzero-dimensional linear crossing Weyl nodal objects have one upper limit is still an open question. In this work, combining angle-resolved photoemission spectroscopy with density functional theory calculations, we show …
Nonlinear optical responses of quantum materials have recently undergone dramatic developments to unveil nontrivial geometry and topology. A remarkable example is the quantized longitudinal circular photogalvanic effect (CPGE) associated with the Chern number of Weyl fermions, while the physics of transverse CPGE in Weyl semimetals remains exclusive. Here, we show that the transverse CPGE of Lorentz invariant Weyl fermions is forced to be zero. We find that the transverse photocurrents of Weyl fermions are associated not only with the Chern numbers but also with the degree of Lorentz-symmetry …
Dirac semimetal is a phase of matter, whose elementary excitation is described by the relativistic Dirac equation. In the limit of zero mass, its parity-time symmetry enforces the Dirac fermion in the momentum space, which is composed of two Weyl fermions with opposite chirality, to be non-chiral. Inspired by the flavor symmetry in particle physics, we theoretically propose a massless Dirac-like equation yet linking two Weyl fields with the identical chirality by assuming SU(2) isospin symmetry, independent of the space-time rotation exchanging the two fields. Dramatically, such symmetry is hi…
