The success of graphene for nanopore DNA sequencing has shown that it is possible to explore other potential single-atom and few-atom thick layers elemental 2D materials beyond (e.g., phosphorene silicene). Using density functional theory, we studied the interaction bases with nanopores created in finite-size nanoribbons from graphene, phosphorene, silicene. We observe binding energies using si...

Defects are almost inevitable during the fabrication process, and their existence strongly affects thermodynamic and (opto)electronic properties of two-dimensional materials. Very recent experiments have provided clear evidence for the presence of larger multi-vacancies in silicene, but their structure, stability, and formation mechanism remain largely unexplored. Here, we present a detailed th...

Silicene is a one-atom-thick two-dimensional crystal of silicon with a hexagonal lattice structure that is related to that of graphene but with atomic bonds that are buckled rather than flat. This buckling confers advantages on silicene over graphene, because it should, in principle, generate both a band gap and polarized spin-states that can be controlled with a perpendicular electric field. H...

Silicene is an intriguing 2D topological material which is closely analogous to graphene but with stronger spin orbit coupling effect and natural compatibility with current silicon-based electronics industry. Here we demonstrate that silicene decorated with certain 3d transition metals (Vanadium) can sustain a stable quantum anomalous Hall effect using both analytical model and first-principles...

The (sqrt[3]×sqrt[3])R30° honeycomb of silicene monolayer on Ag(111) was found to undergo a phase transition to two types of mirror-symmetric boundary-separated rhombic phases at temperatures below 40 K by scanning tunneling microscopy. The first-principles calculations reveal that weak interactions between silicene and Ag(111) drive the spontaneous unusual buckling in the monolayer silicene, f...

We investigate the spin-orbit opened energy gap and the band topology in recently synthesized silicene as well as two-dimensional low-buckled honeycomb structures of germanium using first-principles calculations. We demonstrate that silicene with topologically nontrivial electronic structures can realize the quantum spin Hall effect (QSHE) by exploiting adiabatic continuity and the direct calcu...

Due to its compatibility with the well-developed Si-based semiconductor industry, silicene has attracted considerable attention. Using density functional theory we show for the first time that the recently synthesized superhalogen MnCl3 can be used to tune the electronic and magnetic properties of silicene, from semi-metallic to semiconducting with a wide range of band gaps, as well as from non...

The properties of epitaxial silicene monolayers on Ag(111) at various levels of oxidation are determined through complementary density functional theory calculations and soft X-ray spectroscopy experiments. Our calculations indicate that moderate levels of oxidation do not cause a significant bandgap opening in the epitaxial silicene monolayer, suggesting that oxygen functionalization is not a ...

Submitted for the MAR14 Meeting of The American Physical Society Stability and Electronic Properties of Two-Dimensional Silicene and Germanene on Graphene CHIH-PIAO CHUU, YONGMAO CAI, C.-M. WEI, M.-Y. CHOU, Academia Sinica — Recently, there have been experimental attempts to synthesize silicene, a two-dimensional (2D) graphene-like form of silicon on metal surfaces such as Ag(111) and Ir(0001)....

Based on the first-principles calculations, we have investigated in detail the bandgap opening of silicene nanomeshes. Different to the mechanism of bandgap opening induced by the sublattice equivalence breaking, the method of degenerate perturbation through breaking the bond symmetry could split the π-like bands in the inversion symmetry preserved silicene nanomeshes, resulting into the πa1 - ...