Related papers: Electronic Structures of Two-Dimensional PC6-Type …
Non-symmorphic materials have recently been predicted to exhibit many different exotic features in their electronic structures. These originate from forced band degeneracies caused by the non-symmorphic symmetry, which not only creates the…
We examined high-pressure electronic structure of a single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal…
Using density functional theory calculations we investigate the electronic structure of graphene doped by deposition of foreign atoms. We demonstrate that, as the charge transfer to the graphene layer increases, the band structure of the…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
The semi-metals having electrons near the Fermi level follow the relativistic equation of motion, and show Dirac or Weyl-type behavior. Their orbital resolved electronic bands analysis indicates the non-trivial topological states. Through…
Filling-enforced Dirac semimetals, or those required at specific fillings by the combination of crystalline and time-reversal symmetries, have been proposed and discovered in numerous materials. However, Dirac points in these materials are…
We use tunable, vacuum ultraviolet laser-based angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic properties of Dirac semimetal candidate cubic PtBi${}_{2}$. In addition to bulk…
Two-dimensional (2D) materials have attracted considerable attention due to their unique physicochemical properties and significant potential in energy-related applications. Polymeric carbon nitrides (PCNs) with 2D stacked architecture show…
Dirac-source field-effect transistors (DS-FETs) have been proposed as promising candidates for low-power switching devices by leveraging the Dirac cone of graphene as a low-pass energy filter. In particular, using two-dimensional (2D)…
The ability to manipulate two-dimensional (2D) electrons with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice (SL) potentials, 2D electronic…
We theoretically propose a design for two-dimensional Dirac semimetals using a bilayer-modified Bernevig-Hughes-Zhang (BHZ) model. By introducing new sites into the BHZ model, we engineer flat bands at the Fermi energy. In the bilayer…
Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here a comprehensive density functional theory-based investigation of 7 kinds of point defects in a recently produced {\gamma}…
Having been extensively studied during last decades in the fields of thermoelectics and ionic conductors, the $\alpha $ phase of Cu$_{2}$Se with antfluoride crystal structure has recently emerged as a topological zero-gap semimetal with a…
We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the…
The discovery of graphene has stimulated enormous interest in two-dimensional (2D) electron gas with linear band structure. 2D Dirac materials possess many intriguing physical properties such as high carrier mobility and zero-energy Landau…
In this document we explore graphene, a two-dimensional material with remarkable properties. We center our discussion around its electronic characteristics and their applications. We begin by giving a simple electronic model which will then…
A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we introduce a method to induce a flat band in two-dimensional (2D) materials. We…
This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of the "weakly" and "strongly"…
Emergent Dirac fermion states underlie many intriguing properties of graphene, and the search for them constitute one strong motivation to explore two-dimensional (2D) allotropes of other elements. Phosphorene, the ultrathin layers of black…
As the Fermi level and band structure of two-dimensional materials are readily tunable, they constitute an ideal platform for exploring Lifshitz transition, a change in the topology of a material's Fermi surface. Using tetralayer graphene…