相关论文: Predicting Dirac semimetals based on Sodium Ternar…

We have given a summary on our theoretical predictions of three kinds of topological semimetals (TSMs), namely, Dirac semimetal (DSM), Weyl semimetal (WSM) and Node-Line Semimetal (NLSM). TSMs are new states of quantum matters, which are…

Topological band theory predicts a $\mathbb{Z}$ classification of three-dimensional (3D) Dirac semimetals (DSMs) at the single-particle level. Namely, an arbitrary number of identical bulk Dirac nodes will always remain locally stable and…

Topological Dirac semimetals (DSMs) exhibit nodal points through which energy bands disperse linearly in three-dimensional (3D) momentum space, a 3D analogue of graphene. The first experimentally confirmed DSMs with a pair of Dirac points…

New developments in the field of topological matter are often driven by materials discovery, including novel topological insulators, Dirac semimetals and Weyl semimetals. In the last few years, large efforts have been performed to classify…

Design principles and novel predictions of new 3D Dirac semimetals are presented, along with the context of currently known materials. Current materials include those based on a topological to trivial phase transition, such as in…

We present a prediction of the Dirac semimetal (DSM) phase in MgTa2N3 based on first-principles calculations and symmetry analysis. In this material, the Fermi level is located exactly at the Dirac point without additional Fermi surface…

Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…

We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological…

Nodal-line semimetals with magnetic orders have been theoretically predicted and experimentally observed in only few compounds. We theoretically explore the electronic structure in bulk and boundary of such a magnetic nodal-line state by…

Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form Na$_3$Bi which is a prototypical Dirac semimetal with a nontrivial electronic structure.…

Three-dimensional (3D) topological Dirac semimetals (TDSs) represent a novel state of quantum matter that can be viewed as '3D graphene'. In contrast to two-dimensional (2D) Dirac fermions in graphene or on the surface of 3D topological…

Nodal semimetals, materials systems with nodal-point or -line Fermi surfaces, are much sought after for their novel transport and topological properties. Identification of experimental materials candidates, however, has mainly relied on…

Dirac semimetals (DSMs) have topologically robust three-dimensional Dirac (doubled Weyl) nodes with Fermi-arc states. In heterostructures involving DSMs, charge transfer occurs at the interfaces, which can be used to probe and control their…

Topological semimetals (TSMs) in which conduction and valence bands cross at zero-dimensional (0D) Dirac nodal points (DNPs) or 1D Dirac nodal lines (DNLs), in 3D momentum space, have recently drawn much attention due to their exotic…

Using an evolutionary algorithm in combination with first-principles density functional theory calculations, we identify two-dimensional (2D) CaP$_3$ monolayer as a new Dirac semimetal due to inversion and nonsymmorphic spatial symmetries…

Weak topological insulators and Dirac semimetals are gapped and nodal phases with distinct topological properties, respectively. Here, we propose a novel topological phase that exhibits features of both and is dubbed composite Dirac…

Dirac semimetal (DSM) hosts four-fold degenerate isolated band-crossing points with linear dispersion, around which the quasiparticles resemble the relativistic Dirac Fermions. It can be described by a 4 * 4 massless Dirac Hamiltonian which…

The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [PNAS 113, 8648 (2016)] that for a Dirac semimetal (DSM) arising from band-inversion, such as Na$_3$Bi and Cd$_3$As$_2$, the…

Dirac semimetals host bulk band-touching Dirac points and a surface Fermi loop. We develop a theory of superconducting Dirac semimetals. Establishing a relation between the Dirac points and the surface Fermi loop, we clarify how the…

Topological phases can not only be protected by internal symmetries (e.g., time-reversal symmetry), but also by crystalline symmetries, such as reflection or rotation symmetry. Recently a complete topological classification of reflection…