Dirac semimetal (DSM) is a phase of matter, whose elementary excitation is described by the relativistic Dirac equation. Its parity-time symmetry enforces the linear-dispersed Dirac cone in the momentum space to be non-chiral, leading to surface stat
es connected adiabatically to a topologically trivial surface state. Inspired by the flavor symmetry in particle physics, we theoretically propose a massless chiral Dirac equation 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 hidden in certain solid-state spin-1/2 systems with negligible spin-orbit coupling, where the spin degree of freedom is decoupled with the lattice. Therefore, it cannot be explained by the conventional (magnetic) space group framework. The corresponding system is called chiral DSM. The four-fold degenerate Dirac fermion manifests linear dispersion and a Chern number of +2/-2, leading to a robust network of topologically protected Fermi arcs throughout the Brillouin zone. For material realization, we show that the transition-metal chalcogenide CoNb3S6 with experimentally confirmed collinear antiferromagnetic order is ideal for chiral DSM. Our work unprecedentedly reveals a condensed-matter counterpart of the flavor symmetry in particle physics, leading to further possibilities of emergent phenomena in quantum materials.
Axion, first postulated as a hypothetical particle in high-energy physics, is now extended to describe a novel topological magnetoelectric effect derived from the Chern-Simons theory in condensed matter systems. The recent discovered intrinsic magnet
ic topological insulators MnBi2Te4 and its derivatives have attracted great attention because of their potential as a material platform to realize such a quantized axion field. Since the magnetic exchange gap can bring the half-quantized anomalous Hall effect at the surface, an axion insulator manifests as quantum anomalous Hall and zero Hall plateau effects in the thin films. However, many puzzles about this material family remain elusive yet, such as the gapless surface state and the direct experimental evidence of the axion insulator. In this Perspective, we discuss the preconditions, manifestations and signatures of the axion-insulator phase, in the context of the development of the natural magnetic topological heterostructure MnBi2Te4(Bi2Te3)n family with various intriguing quantum phenomena. Recent theoretical and experimental efforts regarding the intrinsic magnetic topological insulators are summarized here to pave the way for this phenomenally developing field.
Two-dimensional (2D) half-metallic materials are of great interest for their promising applications in spintronics. Although numerous of 2D half-metals have been proposed theoretically, rarely of them can be synthesized experimentally. Here, exemplif
ied by monolayer FeCl2, we show three mechanisms in such quantum magnets that would cause the metal-insulator transition by using first-principles calculations. In particular, half-metallicity, especially that protected by symmetry-induced degeneracies, predicted by the previous theoretical simulations could be destroyed by electron correlation, spin-orbit coupling and further structural distortions to lower the total energy. Our work reveals the fragility of the symmetry-protected half-metals upon various competing energy-lowering mechanisms, which should be taken into account for theoretically predicting and designing quantum mateirals with exotic functionalities.
We report a combined theoretical and experimental study on TaIrTe4, a potential candidate of the minimal model of type-II Weyl semimetals. Unexpectedly, an intriguing node structure with twelve Weyl points and a pair of nodal lines protected by mirro
r symmetry was found by first-principle calculations, with its complex signatures such as the topologically non-trivial band crossings and topologically trivial Fermi arcs cross-validated by angle-resolved photoemission spectroscopy. Through external strain, the number of Weyl points can be reduced to the theoretical minimum of four, and the appearance of the nodal lines can be switched between different mirror planes in momentum space. The coexistence of tunable Weyl points and nodal lines establishes ternary transition-metal tellurides as a unique test ground for topological state characterization and engineering.
The natural periodic stacking of symmetry-inequivalent planes in layered compounds can lead to the formation of natural superlattices; albeit close in total energy, (thus in their thermodynamic stability), such polytype superlattices can exhibit diff
erent structural symmetries, thus have markedly different electronic properties which can in turn be used as structural markers. We illustrate this general principle on the layered LaOBiS2 compound where density-functional theory (DFT) calculations on the (BiS2)/(LaO)/(BiS2) polytype superlattices reveal both qualitatively and quantitatively distinct electronic structure markers associated with the Rashba physics, yet the total energies are only ~ 0.1 meV apart. This opens the exciting possibility of identifying subtle structural features via electronic markers. We show that the pattern of removal of band degeneracies in different polytypes by the different forms of symmetry breaking leads to new Rashba mini gaps with characteristic Rashba parameters that can be determined from spectroscopy, thereby narrowing down the physically possible polytypes. By identifying these distinct DFT-predicted fingerprints via ARPES measurements on LaBiOS2 we found the dominant polytype with small amounts of mixtures of other polytypes. This conclusion, consistent with neutron scattering results, establishes ARPES detection of theoretically established electronic markers as a powerful tool to delineate energetically quasidegenerate polytypes.
Associated with spin-orbit coupling (SOC) and inversion symmetry breaking, Rashba spin polarization opens a new avenue for spintronic applications that was previously limited to ordinary magnets. However, spin polarization effects in actual Rashba sy
stems are far more complicated than what conventional single-orbital models would suggest. By studying via first-principles DFT and a multi-orbital k.p model a 3D bulk Rashba system (free of complications by surface effects) we find that the physical origin of the leading spin polarization effects is SOC-induced hybridization between spin and multiple orbitals, especially those with nonzero orbital angular momenta. In this framework we establish a general understanding of the orbital mapping, common to the surface of topological insulators and Rashba system. Consequently, the intrinsic mechanism of various spin polarization effects, which pertain to all Rashba systems even those with global inversion symmetry, is understood as a manifestation of the orbital textures. This finding suggests a route for designing high spin-polarization materials by considering the atomic-orbital content.
