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Dirac semimetals (DSMs), characterized by linear dispersion relations in their electronic band structure, have gained prominence due to their unique topological features and potential applications in electronic devices. Through systematic…
We study the electronic, magnetic, and spin transport properties of the orthorhombic Mn$_{5}$Si$_{3}$ compound in the $AF2$ phase using symmetry analysis and ab-initio calculations. Our ground state energy calculations align with…
The phenomenon of spin-dependent quantum scattering in two-dimensional (2D) pseudospin-1/2 Dirac materials leading to a relativistic quantum chimera was recently uncovered. We investigate spin-dependent Dirac electron optics in 2D…
Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address…
We propose that Dirac cones can be engineered in phosphorene with fourfold-coordinated phosphorus atom. The key is to separate in energy the in-plane ($s$, $p_x$ and $p_y$) and out-of-plane ($p_z$) oribtals through the $sp^2$ configuration,…
The exciting discovery of bi-dimensional systems in condensed matter physics has triggered the search of their photonic analogues. In this letter, we describe a general scheme to reproduce some of the systems ruled by a tight-binding…
The topological nodal-line semimetal state, serving as a fertile ground for various topological quantum phases, where a topological insulator, Dirac semimetal, or Weyl semimetal can be realized when the certain protecting symmetry is…
Since the discovery of graphene, layered materials have attracted extensive interests owing to their unique electronic and optical characteristics. Among them, Dirac semimetal, one of the most appealing categories, has been a long-sought…
Even though organic conductors have complicated crystalline structure with low symmetry and large unit cell, band structure calculations predict multiband quasi-two dimensional electronic structure yielding very simple Fermi surface in most…
Relativistic massless Weyl and Dirac fermions exhibit the isotropic and linear dispersion relations to preserve the Poincar\'{e} symmetry, the most fundamental symmetry in high energy physics. In solids, the counterparts of the Poincar\'{e}…
Correlated electron molecular orbital (CEMO) materials host emergent electronic states built from molecular orbitals localized over clusters of transition metal ions, yet have historically been discovered sporadically and generally been…
We studied the electronic structure Bi(2)Se(3) employing density functional theory. The calculations show that the Dirac states primarily consists of the states at the interface of surface and sub-surface quintuple layers and the emergence…
Employing a combination of first-principles calculations and low-energy effective models, we present a comprehensive investigation on the electronic structure of Pb$_{10}$(PO$_{4}$)$_{6}$O$_{4}$, which exhibits remarkable…
We present a combined angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations study of the electronic structure of LaAgSb$_2$ in the entire first Brillouin zone. We observe a Dirac-cone-like structure in the…
We explore the hyperbolic band theory under a magnetic field for the first time. Our theory is a general extension of the conventional band theory defined on a Euclidean lattice into the band theory on a general hyperbolic lattice/Riemann…
Based on the refined crystal structure comprised of columns of 3*4 planar blocks of NbO6 octahedra and first principles electronic structure methods, we find that orthorhombic (o)-Nb$_{12}$O$_{29}$ introduces a new class of transition metal…
Dirac point in two-dimensional (2D) materials has been a fascinating subject of research. Recently, it has been theoretically predicted that Dirac point may also be stabilized in 2D magnetic systems. However, it remains a challenge to…
Kagome materials are at the frontier of condensed matter physics. An ideal kagome lattice features only one geometrically frustrated flat band spanning the entire momentum space and a single Dirac cone at the Brillouin-zone corners.…
The three-dimensional (3D) Dirac point, where two Weyl points overlap in momentum space, is usually unstable and hard to realize. Here we show, based on the first-principles calculations and effective model analysis, that crystalline…
We propose that the noncentrosymmetric LiGaGe-type hexagonal $ABC$ crystal SrHgPb realizes a new type of topological semimetal that hosts both Dirac and Weyl points in momentum space. The symmetry-protected Dirac points arise due to a band…