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In a topological insulator, it is the electrons on the surface or edge that carry the signature of topology. Recently, a novel topological state has been proposed in metals or semimetals (gapless) whose band-structure is similar to that of…
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…
Chiral inorganic crystals, particularly semiconductors with Weyl points near the band edges or semimetals hosting Weyl points at the Fermi level, have attracted considerable interest, yet they remain scarce in existing materials databases.…
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric materials for industrial applications as they possess both…
Characterized by bulk Dirac or Weyl cones and surface Fermi-arc states, topological semimetals have sparked enormous research interest in recent years. The nanostructures, with large surface-to-volume ratio and easy field-effect gating,…
Topological semimetals, representing a new topological phase that lacks a full bandgap in bulk states and exhibiting nontrivial topological orders, recently have been extended to photonic systems, predominantly in photonic crystals and to a…
We propose a class of topological superconductivity in which the pairing order is $\mathbb{Z}_2$ topologically obstructed in a three-dimensional time-reversal invariant system. When two Fermi surfaces are related by time-reversal and mirror…
The band topology of magnetic semimetals is of interest both from the fundamental science point of view and with respect to potential spintronics and memory applications. Unfortunately, only a handful of suitable topological semimetals with…
Three-dimensional (3D) topological semimetals represent a new class of topological matters. The study of this family of materials has been at the frontiers of condensed matter physics, and many breakthroughs have been made. Several…
We predict a new class of topological crystalline insulators (TCI) in the anti-perovskite material family with the chemical formula A$_3$BX. Here the nontrivial topology arises from band inversion between two $J=3/2$ quartets, which is…
We propose that CaP3 family of materials, which include CaP3, CaAs3, SrP3, SrAs3 and BaAs3 can host a three-dimensional topological nodal line semimetal states. Based on first-principle calculations and kp model analysis, we show that a…
The surface states of Weyl semi-metals (SM's) consist of disjointed Fermi-arcs. This unusual surface-Fermiology provides a fingerprint of the topological features of the bulk Weyl-phase. Using a combination of semiclassical and numerical…
Topological superconductivity has attracted intensive interest for its ability of hosting Majorana zero mode and implementing in topological quantum computations. Based on the first-principles calculations and the analysis of the effective…
Recently discovered Weyl semimetals (WSM) have found special place in topological condensed matter studies for they represent first example of massless Weyl fermions found in condensed matter systems. A WSM shows gapless bulk energy spectra…
Understanding Dirac-like Fermions has become an imperative in modern condensed matter sciences: all across its research frontier, from graphene to high T$_c$ superconductors to the topological insulators and beyond, various electronic…
In-plane compressively strained $\alpha$-Sn films have been theoretically predicted and experimentally proven to possess non-trivial electronic states of a 3D topological Dirac semimetal. The robustness of these states typically strongly…
Topological semimetals with several types of three-dimensional (3D) fermion of electrons, such as Dirac fermions, Weyl fermions, Dirac nodal lines and triply degenerate nodal points have been theoretically predicted and then experimentally…
Dirac materials are characterized by energy-momentum relations that resemble those of relativistic massless particles. Commonly denominated Dirac cones, these dispersion relations are considered to be their essential feature. These…
We predicted that AMgBi (A=K,Rb Cs), which have the same lattice structures as the 111 family of iron-based superconductors (Na/LiFeAs), are symmetry-protected Dirac semimetals located near the boundary of type-I and type-II Dirac semimetal…
Group I/II materials exhibit unexpected structural phase transitions at high pressures, providing potential insight into the origins of elemental superconductivity. We present here a computational study of elemental barium and binary…