We theoretically investigate the optical activity of three dimensional Dirac semimetals (DSMs) using circular dichroism (CD). We show that DSMs in the presence of a magnetic field in any one of the mirror-symmetric planes of the materials exhibit a notable dichroic behavior. In particular, for different orientations of the light field with respect to the mirror-symmetric plane, the CD in type-II DSMs can detect the presence of mirror anomaly by showing sharply distinct patterns at the mirror-symmetric angle. Interestingly, CD can also distinguish type-II DSMs having only one Dirac point at a time-reversal invariant momentum from type-I DSMs with a pair of Dirac points on the rotation axis of the crystals.
We derive the phonon dynamics of magnetic metals in the presence of strong spin-orbit coupling. We show that both a dissipationless viscosity and a dissipative viscosity arise in the dynamics. While the dissipationless viscosity splits the dispersion of left-handed and right-handed circularly polarized phonons, the dissipative viscosity damps them differently, inducing circular phonon dichroism. The effect offers a new degree of manipulation of phonons, i.e., the control of the phonon polarization. We investigate the effect in Weyl semimetals. We find that there exists strong circular phonon d…
From the Kubo formula for transport in a tilted Weyl semimetal we calculate the absorptive part of the dynamic conductivity for both right and left handed circular polarized light. These depend on the real part of the longitudinal conductivity and the imaginary part of the transverse (Hall) conductivity. We include the effect of the chiral anomaly which pumps charge from negative to positive chirality node when the usual ${\bs E}\cdot{\bs B}$ term is included in the electrodynamics and obtain analytic expressions. To calculate the Hall angle we further provide expressions for the imaginary par…
Weyl semimetals are a three dimensional gapless topological phase in which bands intersect at arbitrary points -- the Weyl nodes -- in the Brillouin zone. These points carry a topological quantum number known as the \emph{chirality} and always appear in pairs of opposite chiralities. The notion of chirality leads to anomalous non-conservation of chiral charge, known as the \emph{chiral anomaly}, according to which charge can be pumped between Weyl nodes of opposite chiralities by an electromagnetic field with non-zero $\boldsymbol{E}\cdot\boldsymbol{B}$. Here, we propose probing the chiral ano…
Topological Dirac semimetals (TDSM), such as Cd$_3$As$_2$ and Na$_3$Bi, exhibits strong optical dichroism with contrasting dielectric permittivity along different crystal axes. However, such optical dichroism is often overlooked in the study of TDSM-based optoelectronic devices, and whether such optical dichroism can lead to unique functionalities not found under the isotropic approximation remain an open question thus far. Here we show that the optical dischroism in TDSM lead to starkly different terahertz (THz) responses and device performance as compared to the isotropic case. Using finite-…
We demonstrate that, apart from the chiral anomaly, Dirac semimetals possess another quantum anomaly, which we call the mirror anomaly, and which manifests in a singular response of the Dirac semimetal to an applied magnetic field. Namely, the anomalous Hall conductivity exhibits step-function singularities when the field is rotated. We show that this phenomenon is closely analogous to the parity anomaly of (2+1)-dimensional Dirac fermions, but with mirror symmetry, which we demonstrate emerges near any Dirac point at a time reversal invariant momentum, replacing the parity symmetry.
In addition to the well known chiral anomaly, Dirac semimetals have been argued to exhibit mirror anomaly, close analogue to the parity anomaly of ($2+1$)-dimensional massive Dirac fermions. The observable response of such anomaly is manifested in a singular step-like anomalous Hall response across the mirror-symmetric plane in the presence of a magnetic field. Although this result seems to be valid in type-II Dirac semimetals (strictly speaking, in the linearized theory), we find that type-I Dirac semimetals do not possess such an anomaly in anomalous Hall response even at the level of the li…
Giant and Broadband Circular Dichroism from Particle-Hole Symmetry Breaking in Weyl Semimetals
East China Normal University（华东师范大学）；Fudan University（复旦大学）；Sun Yat-sen University（中山大学）；Southern University of Science and Technology (SUSTech)（南方科技大学）
We study the polarization dependence of optical absorption for the modified Haldane model, which exhibits antichiral edge modes in presence of sample boundaries and has been argued to be realizable in transition metal dichalcogenides or Weyl semimetals. A rich optical phase diagram is unveiled, in which the correlations between perfect circular dichroism, pseudospin and valley polarization can be tuned independently upon varying the Fermi energy. Importantly, perfect circular dichroism and valley polarization are achieved simultaneously. This unprecedented combination of optical properties sug…
The first Weyl semimetal was recently discovered in the NbP class of compounds. Although the topology of these novel materials has been identified, the surface properties are not yet fully understood. By means of scanning tunneling spectroscopy, we find that NbPs (001) surface hosts a pair of Dirac cones protected by mirror symmetry. Through our high resolution spectroscopic measurements, we resolve the quantum interference patterns arising from these novel Dirac fermions, and reveal their electronic structure, including the linear dispersions. Our data, in agreement with our theoretical calcu…
Chirality-driven optical properties in charge density waves are of fundamental and practical importance. Here, we investigate the interaction between circularly polarized light and emergent chiral stacking orders in quasi-one-dimensional (quasi-1D) charge-density waves (CDW) with density-functional theory calculations. In our specific system, self-assembled In nanowires on Si(111) surface, spontaneous mirror symmetry breaking leads to symmetrically distinct four degenerate quasi-1D CDW structures, which exhibit geometrical chirality. Such geometrical chirality may naturally induce optically ac…
Prototypical three-dimensional (3D) topological Dirac semimetals (DSMs), such as Cd$_3$As$_2$ and Na$_3$Bi, contain electrons that obey a linear momentum-energy dispersion with different Fermi velocities along the three orthogonal momentum dimensions. Despite being extensively studied in recent years, the inherent \emph{Fermi velocity anisotropy} has often been neglected in the theoretical and numerical studies of 3D DSMs. Although this omission does not qualitatively alter the physics of light-driven massless quasiparticles in 3D DSMs, it does \emph{quantitatively} change the optical coeffici…
We have measured the far-infrared reflectivity and Kerr angle spectra on a high-quality crystal of pure semimetallic bismuth as a function of magnetic field, from which we extract the conductivity for left- and right handed circular polarisations. The high spectral resolution allows us to separate the intraband Landau level transitions for electrons and holes. The hole transition exhibits 100% magnetic circular dichroism, it appears only for one polarisation as expected for a circular cyclotron orbit. However the dichroism for electron transitions is reduced to only $13\pm 1$%, which is quanti…
Exploring Spectral Singularities in Dirac Semimetals: The Role of Non-Hermitian Physics and Dichroism
National Intelligence Academy, Institute of Engineering and Science（国家情报学院，工程与科学学院）；Department of Physics, Istanbul University（伊斯坦布尔大学物理系）；Department of Physics, Gebze Technical University（盖布泽理工大学物理系）
Topological semimetals can be classified by the connectivity and dimensionality of the band cross- ing in momentum space. The band crossings of a Dirac, Weyl, or an unconventional fermion semimet- al are 0D points, whereas the band crossings of a nodal-line semimetal are 1D closed loops. Here we propose that the presence of perpendicular crystalline mirror planes can protect 3D band crossings characterized by nontrivial links such as a Hopf link or a coupled-chain, giving rise to a variety of new types of topological semimetals. We show that the nontrivial winding number protects topolog- ical…
Highly anisotropic Drude-weight-reduction and enhanced linear-dichroism in van der Waals Weyl semimetal Td-MoTe2 with coherent interlayer electronic transport
本研究结合线偏振光谱与电输运测量，揭示 Td-MoTe2 在 II 型外尔半金属相中沿 a 轴的高度各向异性 Drude 权重降低，并发现约 0.68 的增强归一化线二色性。
Two noncentrosymmetric ternary pnictides, CaAgP and CaAgAs, are reported as topological line-node semimetals protected solely by mirror-reflection symmetry. The band gap vanishes on a circle in momentum space, and surface states emerge within the circle. Extending this study to spin-orbit coupled systems reveals that, compared with CaAgP, a substantial band gap is induced in CaAgAs by large spin-orbit interaction. The resulting states are a topological insulator, in which the Z2 topological invariant is given by 1; 000. To clarify the Z2 topological invariants for time-reversal-invariant syste…
We develop a semiclassical theory of sound absorption in Weyl semimetals in magnetic fields. We focus on the contribution to the absorption that stems from the existence of Berry monopoles in the band structure of such materials, or, equivalently, due to the chiral anomaly and chiral magnetic effect. Sound absorption is shown to come primarily from the motion of Weyl nodes in energy space, associated with the propagation of a sound wave. We argue that acoustic magneto-chiral dichroism, which occurs when absorption of sound is different for opposite propagation directions, and for opposite dire…
While the topological classification of insulators, semimetals, and superconductors in terms of nonspatial symmetries is well understood, less is known about topological states protected by crystalline symmetries, such as mirror reflections and rotations. In this work, we systematically classify topological semimetals and nodal superconductors that are protected, not only by nonspatial (i.e., global) symmetries, but also by a crystal reflection symmetry. We find that the classification crucially depends on (i) the codimension of the Fermi surface (nodal line or point) of the semimetal (superco…
Theory of light absorption and circular photocurrent in Weyl semimetals is developed for arbitrary large light intensities with account for both elastic and inelastic relaxation processes of Weyl fermions. The direct optical transition rate is shown to saturate at large intensity, and the saturation behaviour depends on the light polarization and on the ratio of the elastic and inelastic relaxation times. The linear-circular dichroism in absorption is shown to exceed 10~\% at intermediate light wave amplitudes and fast energy relaxation. At large intensity $I$, the light absorption coefficient…
Three dimensional (3D) Dirac semimetal is a novel state of quantum matter, characterized by the gapless bulk four-fold degeneracy near Fermi energy. Soon after its discovery, the classification of stable 3D Dirac semimetals with inversion and rotational symmetry have been studied. However, only ten out of thirty-two point groups have both inversion and rotational symmetry, and we need a more complete classification of stable 3D Dirac semimetals. Here we classify stable 3D Dirac semimetals with reflection symmetry and rotational symmetry in the presence of time reversal symmetry, which belong t…
A new class of photocurrents is predicted to occur in both type-I and type-II Weyl semimetals. Unlike the previously studied photocurrents in chiral materials, the proposed current requires neither circularly polarized light, nor an absence of symmetry with respect to a plane of reflection. We show that if a Weyl semimetal has a broken inversion symmetry then linearly polarized light can induce a photocurrent transverse to the direction of an applied magnetic field, in spite of the symmetry with respect to a reflection plane and the time reversal symmetry. The class of materials in which we ex…
We propose a simple scheme to construct a model whose Fermi surface is comprised of crossing-line nodes. The Hamiltonian consists of a normal hopping term and an additional term which is odd under the mirror reflection. The line nodes appear along the mirror-invariant planes, where each line node carries the quantized Berry magnetic flux. We explicitly construct a model with the $N$-fold rotational symmetry, where the $2N$ line nodes merge at the north and south poles. Photoirradiation induces a topological phase transition. When we apply photoirradiation along the $k_z$ axis, there emerge poi…
Topological semimetals have energy bands near the Fermi energy sticking together at isolated points/lines/planes in the momentum space, which are often accompanied by stable surface states and intriguing bulk topological responses. Although it has been known that certain crystalline symmetries play an important role in protecting band degeneracy, a general recipe for stabilizing the degeneracy, especially in the presence of spin-orbit coupling, is still lacking. Here we show that a class of novel topological semimetals with point/line nodes can emerge in the presence of an off-centered rotatio…
By utilizing symmetry analysis and electronic structure calculations, we investigated the low-temperature orthorhombic phase of Ag$_{2}$Se in ${\cal SG}$~17. In addition to the discovery of a nodal plane at $k_{z}=π$ protected by the joint operation of time-reversal (${\cal T}$) and the 2-fold screw rotation $S_{2z}$, we found 24 Weyl points mainly residing at the $k_{y}=0$ plane with notable Fermi arc and large quasiparticle interference pattern (QPI). Due to the absence of mirror symmetry, a pair of Weyl points with opposite chirality reside at different binding energies, which makes this sy…
Over the past two decades, metamaterials have led to an increasing number of biosensing and nanophotonic applications due to the possibility of a careful control of light propagating through subwavelength features. Chiral nanostructures (characterized by the absence of any mirror symmetry), in particular, give rise to unique chiro-optical properties such as circular dichroism and optical activity. Here, we present a gyroid optical metamaterial with a periodicity of 65 nm exhibiting a strong circular dichroism at visible wavelengths. Our bottom-up approach, based on metallic replication of the …
Band-crossings occurring on a mirror plane are compelled to form a nodal loop in the momentum space without spin-orbit coupling (SOC). In the presence of other equivalent mirror planes, multiple such nodal loops can combine to form interesting nodal-link structures. Here, based on first-principles calculations and an effective $\mathbf{k.p}$ model analysis, we show that CaAuAs hosts a unique starfruit-like nodal-link structure in the bulk electronic dispersion in the absence of SOC. This nodal-link is comprised of three nodal loops, which cross each other at the time-reversal-invariant momentu…
We theoretically study the spin and charge currents induced by a spin-motive force in a two-dimensional Dirac semimetal protected by nonsymmorphic symmetries. Glide mirror plane symmetry, a nonsymmorphic symmetry, leads to a constraint to the induced current; the spin-motive force acting on out-of-plane spin (in-plane spin) induces the pure spin (charge) current. We calculate the response function to the spin-motive force in linear response theory and find that the conductivity for the pure spin current remains non-zero even if the Fermi energy is crossing the node of linear dispersion. We als…
We theoretically investigate the spin Hall conductivity (SHC) in topological Dirac semimetals (TDSMs) whose Dirac points are protected by rotational symmetry. On the basis of a general phase diagram of the system with time-reversal, inversion and four-fold rotational symmetries, we reveal that the SHC is sensitive to the phase to which the system belong. The phase and the SHC are characterized by the mirror Chern numbers and the presence or absence of gapless bulk Dirac points. It is also found that the representative TDSM Cd$_3$As$_2$ supports a large and negative SHC $σ_{xy}^z\sim -10^4 (\hb…
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…
We identify a Weyl semimetal state in an inversion breaking, stoichiometric compound strontium silicide, SrSi$_2$, with many new and novel properties that are distinct from the TaAs family. We theoretically show that SrSi$_2$ is a Weyl semimetal even without spin-orbit coupling and that, after the inclusion of spin-orbit coupling, two Weyl fermions stick together forming an exotic double Weyl fermion with quadratic dispersions and a higher chiral topological charge of 2. Moreover, we find that the Weyl nodes with opposite charges are located at different energies due to the absence of mirror s…
We have studied theoretically the Weyl semimetals the point symmetry group of which has reflection planes and which contain equivalent valleys with opposite chiralities. These include the most frequently studied compounds, namely the transition metals monopnictides TaAs, NbAs, TaP, NbP, and also Bi$_{1-x}$Sb$_x$ alloys. The circular photogalvanic current, which inverts its direction under reversal of the light circular polarization, has been calculated for the light absorption under direct optical transitions near the Weyl points. In the studied materials, the total contribution of all the val…
A nodal-line semimetal is a topological gapless phase containing one-dimensional degeneracies called nodal lines. The nodal lines are deformed by a continuous change of the system such as pressure and they can even change their topology, but it is not systematically understood what kind of changes of topology of nodal lines are possible. In this paper, we classify the events of topology change of nodal lines by the Morse theory and reveal that only three types of topology changes of nodal lines, i.e., creation, reconnection, and annihilation, are possible in the spinless nodal-line semimetal p…
We theoretically propose that, the single crystal formed TaS is a new type of topological semimetal, hosting ring-shaped gapless nodal lines and triply degenerate points (TDPs) in the absence of spin-orbit coupling (SOC). In the presence of SOC, the each TDP splits into four TDPs along the high symmetric line in the momentum space, and one of the nodal ring remains closed due to the protection of the mirror reflection symmetry, while another nodal ring is fully gapped and transforms into six pairs ofWeyl points (WPs) carrying opposite chirality. The electronic structures of the projected surfa…
We computationally study the Fermi arc states in a Dirac semimetal, both in a semi-infinite slab and in the thin-film limit. We use Cd$_3$A$_2$ as a model system, and include perturbations that break the $C_4$ symmetry and inversion symmetry. The surface states are protected by the mirror symmetries present in the bulk states and thus survive these perturbations. The Fermi arc states persist down to very thin films, thinner than presently measured experimentally, but are affected by breaking the symmetry of the Hamiltonian. Our findings are compatible with experimental observations of transpor…
Three-dimensional topological semimetals come in different variants, either containing Weyl points or Dirac lines. Here we describe a more complicated momentum-space topological defect where several separate Dirac lines connect with each other, forming a momentum-space equivalent of the real-space nexus considered before for Helium-3. Close to the nexus the Dirac lines exhibit a transition from type I to type II lines. We consider a general model of stacked honeycomb lattices with the symmetry of Bernal (AB) stacked graphite and show that the structural mirror symmetries in such systems protec…
Previously known three-dimensional Dirac semimetals (DSs) occur in two types -- topological DSs and nonsymmorphic DSs. Here we present a novel three-dimensional DS that exhibits both features of the topological and nonsymmorphic DSs. We introduce a minimal tight-binding model for the space group 100 that describes a layered crystal made of two-dimensional planes in the $p4g$ wallpaper group. Using this model, we demonstrate that double glide-mirrors allow a noncentrosymmetric three-dimensional DS that hosts both symmetry-enforced Dirac points at time-reversal invariant momenta and twofold-dege…
We show that under the effect of an external electric field and a gradient of chemical potential, a topological electric current can be induced in Weyl semimetals without inversion and mirror symmetries. We derive analytic expressions for the nonlinear conductivity tensor and show that it is nearly quantized for small tilting when the Fermi levels are close to the Weyl nodes. When the van Hove point is much larger than the largest Fermi level, the band structure is described by two linearly dispersing Weyl fermions with opposite chirality. In this case, the electrochemical response is fully qu…
The topological nodal-line semimetal state, serving as a fertile ground for various topological quantum phases, where a topological insulator, Dirac semimetal, or Weyl semimetal can be realized when the certain protecting symmetry is broken, has only been experimentally studied in very few materials. In contrast to discrete nodes, nodal lines with rich topological configurations can lead to more unusual transport phenomena. Utilizing angle-resolved photoemission spectroscopy and first-principles calculations, here, we provide compelling evidence of nodal-line fermions in centrosymmetric semime…
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 $\overline{…
Materials with tunable charge and lattice degrees of freedom provide excellent platforms for investigating multiple phases that can be controlled via external stimuli. We show how the charge-ordered ferroelectric oxide Ag$_2$BiO$_3$, which has been realized experimentally, presents a unique exemplar of a metal-insulator transition under an external electric field. Our first-principles calculations, combined with a symmetry analysis, reveal the presence of a nearly ideal hourglass-Dirac-semimetal state in the nonpolar structure of Ag$_2$BiO$_3$. The low-energy band structure consists of two hou…
The ternary van der Waals material NbIrTe$_4$ is a Type-II Weyl semimetal. We use a tunable circularly polarized mid-infrared laser to investigate the existence of band-to-band excitations using transient reflectivity in an exfoliated nanoflake and photothermoelectric and photogalvanic signals in a device. Unpolarized photothermoelectric spectroscopy shows that the absorption in the Weyl semimetal increases rapidly above 0.3 eV as expected from the increase in the density of states from DFT calculations. However, the reflectivity shows a sign change in the circular dichroism of the reflected l…
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…
Chirality is a fundamental asymmetry phenomenon, with chiral optical elements exhibiting asymmetric response in reflection or absorption of circularly polarized light. Recent realizations of such elements include nanoplasmonic systems with broken mirror symmetry and polarization-contrasting optical absorption known as circular dichroism. An alternative route to circular dichroism is provided by spin-valley polarized excitons in atomically thin semiconductors. In the presence of magnetic fields, they exhibit an imbalanced coupling to circularly polarized photons and thus circular dichroism. Her…
Weyl semimetals are a new member of the topological materials family, featuring a pair of singly degenerate Weyl cones with linear dispersion around the nodes in the bulk, and Fermi arcs on the surface. Depending on whether the system conserves or violates Lorentz symmetry, Weyl semimetals can be categorized into two classes. Photoemission spectroscopy measurements have confirmed the TaAs-class and WTe2-class of Weyl semimetals as type-I and type-II respectively. This review article aims to elucidate and elaborate on the basic concepts of Weyl semimetals and quasiparticle interference experime…
We report on exotic response properties in 3D time-reversal invariant Weyl semimetals with mirror symmetry. Despite having a vanishing anomalous Hall coefficient, we find that the momentum-space quadrupole moment formed by four Weyl nodes determines the coefficient of a mixed \emph{electromagnetic charge-stress} response, in which momentum flows perpendicular to an applied electric field, and electric charge accumulates on certain types of lattice defects. This response is described by a mixed Chern-Simons-like term in 3 spatial dimensions, which couples a rank-2 gauge field to the usual elect…
We introduce the topological mirror excitonic insulator as a new type of interacting topological crystalline phase in one dimension. Its mirror-symmetry-protected topological properties are driven by exciton physics, and it manifests in the quantized bulk polarization and half-charge modes on the boundary. And the bosonization analysis is performed to demonstrate its robustness against strong correlation effects in one dimension. Besides, we also show that Rashba nanowires and Dirac semimetal nanowires could provide ideal experimental platforms to realize this new topological mirror excitonic …
The distinct over-tilting of band crossings in topological semimetal generates the type-I and typeII classification of Dirac/Weyl and nodal-line fermions, accompanied by the exotic electronic and magnetic transport properties. In this work, we propose a concept of hybrid nodal-chain semimetal, which is identified by the linked type-I and type-II nodal rings in the Brillouin zone. Based on first-principles calculations and swarm-intelligence structure search technique, a new ternary nitride MgCaN2 crystal is proposed as the first candidate to realize a novel 3D hybrid nodal-chain state. Remarka…
We show by first-principles calculations that the Dirac nodal-line semimetal phase can co-exist with the ferromagnetic order at room temperature in chromium dioxide, a widely used material in magnetic tape applications, under small tensile hydrostatic strains. An ideally flat Dirac nodal ring close to the Fermi energy is placed in the reflection-invariant boundary of the Brillouin zone perpendicular to the magnetic order, and is topologically protected by the unitary mirror symmetry of the magnetic group $D_{4h}(C_{4h})$, which quantizes the corresponding Berry phase into integer multiples of …
