Related papers: Designing substrates for silicene and germanene: F…
Although many possible two-dimensional (2D) topological insulators (TIs) have been predicted in recent years, there is still lack of experimentally realizable 2D TI. Through first-principles and tight-binding simulations, we found an…
Dirac points in two-dimensional (2D) materials have been a fascinating subject of research, with graphene as the most prominent example. However, the Dirac points in existing 2D materials, including graphene, are vulnerable against…
Herein, we performed first principle calculation and classical molecular dynamics simulation to study structural optimization, band structure, and mechanical properties of differently stacked multilayer silicene. Several local energy minima…
Elemental monolayers of the group 14 with a buckled honeycomb structure, namely silicene, germanene, stanene, and plumbene, are known to demonstrate a spin splitting as a result of an electric field parallel to their high symmetry axis…
Silicene, a monolayer of silicon atoms tightly packed into a two-dimensional honeycomb lattice, is the challenging hypothetical reflection in the silicon realm of graphene, a one-atom thick graphite sheet, presently the hottest material in…
In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show…
Using first principles pseudopotential density functional theory calculations, we find that terminating zigzag graphene nanoribbons (ZGNR) with monovalent alkali atoms at a reduced concentration has a dramatic impact on their properties. In…
The discovery of the Dirac electron dispersion in graphene led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac…
We demonstrate unexpected occurrence of linear bands resembling Dirac cone at the zone-center of Au$_2$Sn surface alloy with $\left( \begin{smallmatrix} 2&1\\ 1&3 \end{smallmatrix} \right)$ surface structure formed by deposition of about…
We study theoretically "graphene-like" plasmonic metamaterials constituted by two-dimensional arrays of metallic nanoparticles, including perfect honeycomb structures with and without inversion symmetry, as well as generic bipartite…
Using atomic resolved scanning tunneling microscopy, we present here the experimental evidence of a silicene sheet (graphene like structure) epitaxially grown on a close-packed silver surface (Ag(111)). This has been achieved via direct…
We compare the models that have been proposed in the literature for the atomic structure of the 90-degree partial dislocation in the homopolar semiconductors, silicon, diamond, and germanium. In particular, we examine the traditional…
Two-dimensional (2D) honeycomb lattices beyond graphene, such as germanene, promise new physical properties such as quantum spin Hall effect. While there have been many claims of growth of germanene, the lack of precise structural…
We report the discovery of weak topological insulators by ab initio calculations in a honeycomb lattice. We propose a structure with an odd number of layers in the primitive unit-cell as a prerequisite for forming weak topological…
Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…
The zigzag edge graphene nanoribbon, which is an antiferromagnetic insulator, is found from the density-function theory calculation to display a robust Dirac point after N and B doping at the zigzag edge. More interestingly, we found that…
Here, we report by first-principles calculations one new stable 2D Dirac material, Ta2Se3 monolayer. For this system, stable layered bulk phase exists, and exfoliation should be possible. Ta2Se3 monolayer is demonstrated to support two…
We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1x1)-structures of Co on Cu(001) for coverages up to two monolayers. In particular we discuss the tendency towards phase…
Silicene, the silicon equivalent of graphene, is attracting increasing scientific and technological attention in view of the exploitation of its exotic electronic properties. This novel material has been theoretically predicted to exist as…
This paper reports state-of-the-art electronic structure calculations on the deposition of strontium on the technologically relevant, (001) orientated silicon surface. We identified the surface reconstructions from zero to four thirds…