Related papers: Silicene on Substrates: A Theoretical Perspective
We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface, by virtue of density functional theory and tight-binding calculations.Our results show that the Dirac character of low energy…
We report here the structural and electronic properties of graphene and silicene (silicon analogue of graphene) investigated using first-principles calculations of their ground state energies employing full-potential (linearized) augmented…
Semi-Dirac semimetal is a material exhibiting linear band dispersion in one direction and quadratic band dispersion in the orthogonal direction and, therefore, hosts massless and massive fermions at the same point in the momentum space.…
Using the two-dimensional ionic Hubbard model as a simple basis for describing the electronic structure of silicene in the presence of an electric field induced by the substrate, we use the coherent-potential approximation to calculate the…
Epitaxial graphene films were formed on the Si-face of semi-insulating 4H-SiC substrates by a high temperature sublimation process. A high-k gate stack on epitaxial graphene is realized by inserting a fully oxidized nanometer thin aluminum…
Graphene, the two-dimensional form of carbon presents outstanding electronic and transport properties. This gives hope for the development of applications in nanoelectronics. However, for industrial purpose, graphene has to be supported by…
The interaction of silicene with Si, C, H, O, Ti atoms along with H$_2$, H$_2$O and O$_2$ molecules are investigated and the induced functionalities thereof are analyzed using first principles density functional theory. Si adatom initially…
The discovery of intriguing properties related to the Dirac states in graphene has spurred huge interest in exploring its two-dimensional group-IV counterparts, such as silicene, germanene, and stanene. However, these materials have to be…
Tuning interactions between Dirac states in graphene has attracted enormous interest because it can modify the electronic spectrum of the two-dimensional material, enhance electron correlations, and give rise to novel condensed-matter…
We study a superlattice of silicene and hexagonal boron nitride by first principles calculations and demonstrate that the interaction between the layers of the superlattice is very small. As a consequence, quasi free-standing silicene is…
We present a detailed study of the imaginary and real parts of the spin-susceptibility of silicene which can be generalized to other buckled honeycomb structure. We find that while the off-diagonal components are non-zero in individual…
By using first-principles calculations, we systematically investigated several observed phases of silicene on Ag(111) substrates and their electronic structures. We find that the original Dirac cone of silicene is about 1.5-1.7 eV deeply…
The structure optimization, phonon, and ab initio finite temperature molecular dynamics calculations have been performed to predict that bilayer silicene has stable structure with AB stacking geometry and is more favorable energetically to…
Graphene is generally considered to be a strong candidate to succeed silicon as an electronic material. However, to date, it actually has not yet demonstrated capabilities that exceed standard semiconducting materials. Currently…
This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric…
Spintronics involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. The fascinating spin-resolved properties of graphene motivate numerous researchers into the studies of spintronics in…
Epitaxial graphene on SiC possesses, quite remarkably, an electron spectrum similar to that of freestanding samples. Yet, the coupling to the substrate, albeit small, affects the quasiparticle properties. Combining \emph{ab initio}…
Graphene, a flat monolayer of carbon atoms tightly packed into a two-dimensional honeycomb lattice (a one atom thick graphite sheet), is presently the hottest material in nanoscience and nanotechnology. Its challenging hypothetical…
Graphene, a honeycomb lattice of carbon atoms ruled by tight-binding interaction, exhibits extraordinary electronic properties due to the presence of Dirac cones within its band structure. These intriguing singularities have naturally…
Silicene, a counterpart of graphene, has achieved rapid development due to its exotic electronic properties and excellent compatibility with the mature silicon-based semiconductor technology. Its low room-temperature mobility of about 100…