Related papers: Two-dimensional boron on Pb (110) surface
The structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boron have been studied by first-principles calculations. Both a-boron and a*-boron consist of equivalent icosahedra B12 clusters in…
Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…
Different from the Fermi surface of the type-I Dirac semimetal being a point, that of the type-II Dirac semimetal is a pair of crossing lines because the Dirac cone is tilted with open and hyperbolic isofrequency contours. As an optical…
Superconductivity of a single two-dimensional Dirac fermion offers a natural route to topological superconductivity. While usually considered extrinsic -- arising from proximity to a conventional superconductor -- we investigate when a…
Borophene is a monolayer materials made of boron. A perfect planar boropehene called $\beta_{12}$ borophene has Dirac cones and they are well reproduced by a tight-binding model according to recent experimental and first-principles…
Stimulated by the success of graphene and its emerging Dirac physics, the quest for versatile and tunable electronic properties in atomically thin systems has led to the discovery of various chemical classes of 2D compounds. In particular,…
The search for symmetry-protected 2D Dirac semimetals analogous to graphene is important both for fundamental and practical interest. The 2D Dirac cones are protected by crystalline symmetries and magnetic ordering may destroy their…
We establish the presence of topologically protected edge states on the (001) surface of HgS in the zinc-blende structure using density-functional electronic structure calculations. The Dirac point of the edge state cone is very close to…
Pseudorelativistic Dirac quasiparticles have emerged in a plethora of artificial graphene systems that mimic the underlying honeycomb symmetry of graphene. However, it is notoriously difficult to manipulate their properties without…
After the discovery of graphene and its many fascinating properties, there has been a growing interest for the study of "artificial graphenes". These are totally different and novel systems which bear exciting similarities with graphene.…
High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the molecular precursors. Here, we study the electronic…
We theoretically predict that a large variety of Dirac-cone materials can be constructed in Bi${}_{1-x}$Sb${}_{x}$ thin films, and we here show how to construct single-, bi- and tri- Dirac-cone materials with various amounts of wave vector…
It is well-known that the tight-binding Hamiltonian of graphene describes the low-energy excitations that appear to be massless chiral Dirac fermions. Thus, in the continuum limit one can analyze the crystal properties using the formalism…
At low energy, electrons in doped graphene sheets behave like massless Dirac fermions with a Fermi velocity which does not depend on carrier density. Here we show that modulating a two-dimensional electron gas with a long-wavelength…
Chemical bonding and electronic structure of MgB2, a boron-based newly discovered superconductor, is studied using self-consistent band structure techniques. Analysis of the transformation of the band structure for the hypothetical series…
We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the…
In this research work, the 2D structure of the germanene layer is compounded with 2D group-III phosphides: AlP and GaP. The planar structure of AlP and low-buckled GaP have been taken to form the bilayer patterns. In each case, three…
We study alpha, beta, and gamma graphyne, a class of graphene allotropes with carbon triple bonds, using a first-principles density-functional method and tight-binding calculation. We find that graphyne has versatile Dirac cones and it is…
A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature Tc estimated in the 47-48 K range (predicted using…
The binary metal borides provide a promising platform for searching unique materials with superconductivity and super-hardness under high pressure, owing to the distinctive bonding characters of boron. In this work, combined the…