Related papers: Tailoring topological states in silicene using dif…
Silicene is a promising 2D Dirac material as a building block for van der Waals heterostructures (vdWHs). Here we investigate the electronic properties of hexagonal boron nitride/silicene (BN/Si) vdWHs using first-principles calculations.…
We propose a powerful method of controlling interaction between silicene and a substrate utilizing quantum size effect, which allows to grow silicene with tailored electronic properties. As an example we consider silicene on ultrathin…
Low-buckled silicene is a prototypical quantum spin Hall insulator with the topological quantum phase transition controlled by an out-of-plane electric field. We show that this field-induced electronic transition can be further tuned by an…
A key feature of topological insulators is the robustness of the electron energy spectrum. At a surface of a topological insulator, Dirac point is protected by the characteristic symmetry of the system. The breaking of the symmetry opens a…
We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab-initio calculations. We demonstrate that due to weak interaction quasi-freestanding silicene is realized in this system. The small binding…
Silicene, the two-dimensional (2D) allotrope of silicon has very recently attracted a lot of attention. It has a structure that is similar to graphene and it is theoretically predicted to show the same kind of electronic properties which…
We propose a guideline for exploring substrates that stabilize the monolayer honeycomb structure of silicene and germanene while simultaneously preserve the Dirac states: in addition to have a strong binding energy to the monolayer, a…
In 2D topological insulators (TIs) based on semiconductor quantum wells such as HgTe/CdTe or InAs/GaSb/AlSb, spin polarized edge states have been predicted with a massless Dirac like dispersion. In a hard wall treatment based on the 4 x 4…
Using full potential density functional calculations within local density approximation (LDA), we report our investigation of the structural electronic properties of silicene (the graphene analogue of silicon), the strips of which has been…
Starting from the symmetry aspects and tight-binding method in combination with first-principles calculation, we systematically derive the low-energy effective Hamiltonian involving spin-orbit coupling (SOC) for silicene, which is very…
The low-energy band-structure of electrons propagating on a lateral surface of a heterostructure consisting of three dimensional topological insulator (TI) and magnetic insulator layers has been calculated. The energy spectrum is highly…
The quasi-two-dimensional electronic gas at the (111) SrTiO$_3$-based heterostructure interfaces is described by a multi-band tight-binding model providing electronic bands in agreement at low energies with photoemission experiments. We…
Silicene is a two-dimensional quantum spin-Hall insulator. We study the edge channels of silicene nanoribbons from the viewpoint of the topological protection and the interference between the two edges. It is found that the behaviors of the…
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…
Based on first-principles calculation we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon…
The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e.g. the Dirac cone of silicene is destroyed due to lattice distortion and the…
Based on first-principles calculations, we show that stoichiometric TaSe3, synthesized in space group P21/m, belongs to a three-dimensional (3D) strong topological insulator (TI) phase with Z2 invariants (1;100). The calculated surface…
Topological insulators (TIs) and graphene present two unique classes of materials which are characterized by spin polarized (helical) and non-polarized Dirac-cone band structures, respectively. The importance of many-body interactions that…
Graphene and topological insulators (TI) possess two-dimensional Dirac fermions with distinct physical properties. Integrating these two Dirac materials in a single device creates interesting opportunities for exploring new physics of…
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…