Related papers: Structural and electronic properties of germanene …
We present a theoretical study of the electronic structure of magnetically modulated graphene. We consider monolayer graphene in the presence of a perpendicular magnetic field and a unidirectional weak magnetic modulation. The density of…
Inspired by recent experimental realizations of two-dimensional (2D) metals and alloys, we theoretically investigate the stability and electronic properties of monolayer (ML) Fe-C compounds and pure Fe. According to our and others…
The new-found two-dimensional antiferromagnetic GdTe$_3$ is attractive owing to its highest carrier mobility among all known layered magnetic materials, as well as its potential application for novel magnetic twistronic and spintronic…
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.…
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…
We performed comprehensive theoretical and experimental studies of the electronic structure and the Fermi surface topology of two novel quantum materials, MoSi$_2$ and WSi$_2$. The theoretical predictions of the electronic structure in the…
Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations to investigate and compare the interaction of Na or Li ions…
Stacking geometry in multilayer graphene (MLG) provides an interesting degree of freedom to engineer its electronic structure near the Fermi level, wherein the linear bands in single layer graphene could retain or evolve into parabolic or…
Based on the ab initio calculations, we show that MoTe2, in its low-temperature orthorhombic structure characterized by an X-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the N-th and N+1-th bands, where N is the…
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
We present exemplary results of extensive studies of mechanical, electronic and transport properties of covalent functionalization of graphene monolayers (GML) with -NH2. We report new results of ab initio studies of covalent…
Germanium and silicon-germanium alloys have found entry into Si technology thanks to their compatibility with Si processing and their ability to tailor electronic properties by strain and band-gap engineering. Germanium's potential to…
The relativistic Foldy-Wouthuysen transformation is used for an advanced description of planar graphene electrons in external fields and free (2+1)-space. It is shown that the initial Dirac equation should by based on the usual $(4\times4)$…
Fabrication of graphene structures has triggered vast research efforts focused on the properties of two-dimensional systems with massless Dirac fermions. Nevertheless, further progress in exploring this quantum electrodynamics system in…
Three dimensional topological Dirac semi-metals represent a novel state of quantum matter with exotic electronic properties, in which a pair of Dirac points with the linear dispersion along all momentum directions exist in the bulk. Herein,…
Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…
The tunability of the dielectric properties induced by the substrate driven interactions (SDI) and the exchange field (M) due to the ferro-magnetic impurities in graphene monolayer on transition metal dichalcogenide (TMDC) (viz., XY2 , X =…
While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…
In multiband superconductivity, the case where the single electron hopping between different Fermi surface spots of different symmetry is forbidden by selection rules is recently attracting a large interest. The focus is addressed to…
The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the…