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Bulk-boundary correspondence has achieved a great success in the identification of topological states. However, this elegant strategy doesn't apply to the Dirac semimetals (DSMs). Here, we propose that kagome lattices Pd$_3$Pb$_2$X$_2$ (X =…
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…
The antiferromagnetic (AFM) semimetal YbMnSb$_2$ has recently been identified as a candidate topological material, driven by time-reversal symmetry breaking. Depending on the ordered arrangement of Mn spins below the N\'{e}el temperature,…
Dirac semimetals (DSMs), which host Dirac fermions and represent new state of quantum matter, have been studied intensively in condensed matter physics. The exploration of new materials with topological states is im- portant in both physics…
Dirac materials are of great interest as condensed matter realizations of the Dirac and Weyl equations. In particular, they serve as a starting point for the study of topological phases. This physics has been extensively studied in…
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.…
Dirac semimetals, with their protected Dirac points, present an ideal platform for realizing intrinsic topological superconductivity. In this work, we investigate superconductivity in a two-dimensional, square-lattice nonsymmorphic Dirac…
Semi-Dirac semimetal is a material exhibiting linear band dispersion in one direction and quadratic band dispersion in the orthogonal direction and, therefore, hosts massless and massive fermions at the same point in the momentum space.…
We report the electronic band structures and concomitant Fermi surfaces for a family of exfoliable tetradymite compounds with the formula $T_2$$Ch_2$$Pn$, obtained as a modification to the well-known topological insulator binaries…
Pt-Sr binary intermetallics encompass a broad range of stoichiometries and crystal structures, stabilized by complex bonding and multivalent chemistry. The Sr-rich end member, PtSr5, is recently identified via artificial-intelligence-guided…
The scarcity of predicted magnetic topological materials (MTMs) by magnetic space group (MSG) hinders further exploration towards realistic device applications. Here, we propose a new scheme combining spin space groups (SSGs)--approximate…
Three-dimensional (3D) topological Dirac semimetal is a new kind of material that has a linear energy dispersion in 3D momentum space and can be viewed as an analog of graphene. Extensive efforts have been devoted to the understanding of…
Based on first-principles calculations, we find that LiZnBi, a metallic hexagonal $ABC$ compound, can be driven into a Dirac semimetal with a pair of Dirac points by strain. The nontrivial topological nature of the strained LiZnBi is…
The interaction between superconductivity and band topology can lead to various unconventional superconducting (SC) states, and represents a new frontier in condensed matter physics research. Recently, the transition metal dichalcogenide…
Density functional theory (DFT) approaches have been ubiquitously used to predict topological order and non-trivial band crossings in real materials, like Dirac, Weyl semimetals and so on. However, use of less accurate exchange-correlation…
Topological semimetals, such as Dirac, Weyl, or line-node semimetals, are gapless states of matter characterized by their nodal band structures and surface states. In this work, we consider layered (topologically trivial) insulating systems…
Several intriguing electronic phenomena and electric properties were discovered in three-dimensional Dirac nodal line semimetals (3D-DNLSM), which are, however, easy to be perturbed under strong spin-orbit coupling (SOC). While…
We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a $4 \times 4$ matrix and six types of…
Nodal loop semimetals are close descendants of Weyl semimetals and possess a topologically dressed band structure. We argue by combining the conventional theory of magnetic oscillation with topological arguments that nodal loop semimetals…
Topological phases arise from the elegant mathematical structures imposed by the interplay between symmetry and topology1-5. From gapped topological insulators to gapless semimetals, topological materials in both quantum and classical…