Related papers: Complex Dirac-like Electronic Structure in Atomic …
The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering (RIXS). Comparison between the two compounds,…
A data mining study of electronic Kohn-Sham band structures was performed to identify Dirac materials within the Organic Materials Database (OMDB). Out of that, the 3-dimensional organic crystal…
Single crystal x-ray diffraction, magnetic susceptibility, heat capacity, and electrical resistivity measurements are reported for the new tetragonal compound Ce$_{2}$PdGe$_{3}$, which forms in the space group $P4_{2}/mmc$ (\#131) $-$ a…
Zirconium pentatelluride (ZrTe$_{5}$), a system with a Dirac linear band across the Fermi level and anomalous transport features, has attracted considerable research interest for it is predicted to be located at the boundary between strong…
The structural, elastic, and electronic properties of the very recently discovered ternary silicide superconductor, Li2IrSi3, have been calculated using ab-initio technique. We have carried out the plane-wave pseudopotential approach within…
The quasi-two-dimensional molecular semimetallic conductor $\alpha$-STF$_2$I$_3$ is isostructural with $\alpha$-ET$_2$I$_3$.The latter possesses a unique band structure showing a zero-gap state with Dirac cones under high pressure, whereas…
Topological semimetals have attracted extensive research interests for realizing condensed matter physics counterparts of three-dimensional Dirac and Weyl fermions, which were originally introduced in high energy physics. Recently it has…
The optical conductivity of the new Dirac semimetal candidate Ir$_2$In$_8$Se is measured in a frequency range from 40 to 30000 cm$^{-1}$ at temperatures from 300 K down to 10 K. The measurement reveals that the compound is a low carrier…
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.…
Band structures of pressure-induced CeNiGe3 and exotic BCS-like YNiGe3 superconductors have been calculated employing the full-potential local-orbital code. Both the local density approximation (LDA) and LDA+U treatment of the…
Recently, new FeAs based high-temperature superconductors CaAFe4As4 (A=K, Rb, Cs) with a layered tetragonal crystal structure were synthesized (TC ~ 30 K). In this Letter, we report for the first time the band structures, Fermi surface…
The electronic structures of R2Fe3Si5 (where R = Lu, Tm, Er, Tb, Yb) intermetallics have been calculated from first principles in local-spin density (LSDA) and LSDA + U approaches. The majority of rare-earth iron silicides, except for the…
We show that YCr6Ge6, comprising a kagome lattice made up of Cr atoms, is a plausible candidate compound for a kagome metal that is expected to exhibit anomalous phenomena such as flat-band ferromagnetism. Resistivity, magnetization, and…
Angle resolved photoemission spectroscopy (ARPES) studies were performed on two compounds (TlBiTe$_2$ and TlBiSe$_2$) from a recently proposed three dimensional topological insulator family in Thallium-based III-V-VI$_2$ ternary…
The three dimensional (3D) Dirac semimetal, which has been predicted theoretically, is a new electronic state of matter. It can be viewed as 3D generalization of graphene, with a unique electronic structure in which conduction and valence…
In the series R2PdSi3, Nd2PdSi3 is an anomalous compound in the sense that it exhibits ferromagnetic order unlike other members in this family. The magnetic ordering temperature is also unusually high compared to the expected value for a…
Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…
Two-dimensional (2D) ferroelectric (FE) materials offer a large variety of electronic properties depending on chemical composition, number of layers and stacking-order. Among them, alpha-In2Se3 has attracted much attention due to the…
We predict from DFT based electronic structure calculations that a monolayer made up of Carbon and Arsenic atoms, with a chemical composition (CAs3) forms an energetically and dynamically stable system. The optimized geometry of the…
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to…