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A topological Dirac semimetal is a novel state of quantum matter which has recently attracted much attention as an apparent 3D version of graphene. In this paper, we report critically important results on the electronic structure of the 3D…
We study a class of Dirac semimetals that feature an eightfold-degenerate double Dirac point. We show that 7 of the 230 space groups can host such Dirac points and argue that they all generically display linear dispersion. We introduce an…
Topological semimetals are gapless states of matter which have robust and unique electromagnetic responses and surface states. In this paper, we consider semimetals which have point like Fermi surfaces in various spatial dimensions…
Semi-Dirac fermions are massless in one direction and massive in the perpendicular directions. Such quasiparticles have been proposed in various contexts in condensed matter. Using first principles calculations, we identify a pair of…
Topological semimetals (TSMs) featuring symmetry-protected band degeneracies have attracted considerable attention due to their exotic quantum properties and potential applications. While nodal line (NL) and nodal surface (NS) semimetals…
Condensed matter systems in low dimensions exhibit emergent physics that does not exist in three dimensions. When electrons are confined to one dimension (1D), some significant electronic states appear, such as charge density wave,…
Dirac semimetals (DSMs) are three dimensional analogue to graphene with symmety enforced bulk Dirac nodes. Among various DSMs, ZrSiS has been attracting more interests recently, due to its three dimensional Dirac nodal line protected by the…
We propose a general framework for constructing a large set of nodal-point semimetals by tuning the number of linearly ($d_L$) and (at most) quadratically ($d_Q$) dispersing directions. By virtue of such a unifying scheme, we identify a new…
Magnetic susceptibility of the topological Weyl, type-II Weyl, Dirac, and line node semimetals is theoretically investigated. Dependences of this susceptibility on the chemical potential, temperature, direction and magnitude of the magnetic…
TlBiSSe is a rare realization of a 3D semimetal with a conically dispersing band that has an optical response which is well isolated from other contributions in a broad range of photon eneries. We report optical and magneto-optical…
In rare-earth monopnictides like NdBi, the interplay between magnetism and topology results in an extremely unusual topological semimetal phase which simultaneously hosts Weyl points with Fermi arcs as well as massive and massless Dirac…
Three-dimensional (3D) topological nodal points, such as Weyl and Dirac nodes have attracted wide-spread interest across multiple disciplines and diverse material systems. Unlike nodal points that contain little structural variations, nodal…
The first-principles band theory paradigm has been a key player not only in the process of discovering new classes of topologically interesting materials, but also for identifying salient characteristics of topological states, enabling…
Graphene, topological insulators, and Weyl semimetals are three widely studied materials classes which possess Dirac or Weyl cones arising from either sublattice symmetry or spin-orbit coupling. In this work, we present a theory of a new…
Symmetry or topology protected Dirac fermion states in two and three dimensions constitute novel quantum systems that exhibit exotic physical phenomena. However, none of the studied spin-orbit materials are suitable for realizing bulk…
We report the experimental realization of Dirac semimetal state in NdSb, a material with antiferromagnetic ground state. The occurrence of topological semimetal state has been well supported by our band structure calculations and the…
The thermal chiral anomaly is a new mechanism for thermal transport that occurs in Weyl semimetals (WSM). It is attributed to the generation and annihilation of energy at Weyl points of opposite chirality. The effect was observed in the…
We report the computational investigation of a series of ternary X$_4$Y$_2$Z and X$_5$Y$_2$Z$_2$ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compositions for these materials were predicted through a search…
Topological semimetals are characterized by their intriguing Fermi surfaces (FSs) such as Weyl and Dirac points, or nodal FS, and their associated surface states. Among them, topological crystalline semimetals, in the presence of strong…
High quality hexagon plate-like Na3Bi crystals with large (001) plane surfaces were grown from a molten Na flux. The freshly cleaved crystals were analyzed by low temperature scanning tunneling microscopy (STM) and angle-resolved…