相关论文: Solid argon as a possible substrate for quasi-free…

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 report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:…

We performed a scanning tunneling microscopy and spectroscopy (STM/STS) study on the electronic structures of of root(3)Xroot(3)-silicene on Ag(111). We find that the coupling strength of root(3)Xroot(3)-silicene with Ag(111) substrate is…

We report first-principles calculations that clarify stability and electronic structures of silicene on Ag(111) surfaces. We find that several stable structures exist for silicene/Ag(111), exhibiting a variety of images of scanning…

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…

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…

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…

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…

In the case of graphene, hydrogenation removes the conductivity due to the bands forming the Dirac cone by opening up a band gap. This type of chemical functionalization is of utmost importance for electronic applications. As predicted by…

The discovery of (4x4) silicene formation on Ag(111) raised the question on whether silicene maintains its Dirac fermion character, similar to graphene, on a supporting substrate. Previous photoemission studies indicated that the {\pi}-band…

We report on total-energy electronic-structure calculations in the density-functional theory performed for both monolayer and bilayer silicene on Ag(111) surfaces. The rt3 x rt3 structure observed experimentally and argued to be the…

Freestanding silicene, a monolayer of Si arranged in a honeycomb structure, has been predicted to give rise to massless Dirac fermions, akin to graphene. However, Si structures grown on a supporting substrate can show properties that…

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…

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…

Silicene, the two-dimensional allotrope of silicon, is predicted to exist in a low-buckled honeycomb lattice, characterized by semimetallic electronic bands with graphenelike energy-momentum dispersions around the Fermi level (represented…

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…

Free standing silicene is predicted to display comparable electronic properties as graphene. However, the yet synthesized silicene-like structures have been only realized on different substrates which turned out to exhibit versatile…

In this paper we report on several structures of silicene, the analog of graphene for silicon, on the silver surfaces Ag(100), Ag(110) and Ag(111). Deposition of Si produces honeycomb structures on these surfaces. In particular, we present…

A possible superconducting gap, about 35 meV, was observed in silicene on Ag(111) substrate by scanning tunneling spectroscopy. The temperature-dependence measurement reveals a superconductor-metal transition and gives a critical…

Atomic scale engineering of two-dimensional materials could create devices with rich physical and chemical properties. External periodic potentials can enable the manipulation of the electronic band structures of materials. A prototypical…