Related papers: Substrate-induced half-metallic property in epitax…
Graphene, consisting of an inert, thermally stable material with an atomically flat, dangling bond-free surface is by essence an ideal template layer for van der Waals heteroepitaxy of two-dimensional materials such as silicene. However,…
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their typical semiconducting bulk structure. Herein, we propose a…
Since the discovery of graphene, intensive efforts have been made in search of novel two-dimensional (2D) materials. Decreasing the materials dimensionality to their ultimate thinness is a promising route to unveil new physical phenomena,…
In two-dimensional crystals that lack symmetry under reflections on the horizontal plane of the lattice (non-$\sigma_{\rm h}$-symmetric), electrons can couple to flexural modes (ZA phonons) at first order. We show that in materials of this…
In this manuscript, we present a field effect transistor with a channel consisting of a two-dimensional electron gas located at the interface between an ultrathin metallic film of Ni and a p-type Si(111) substrate. We have demonstrated that…
Silicon dioxide or silica, normally existing in various bulk crystalline and amorphous forms, is recently found to possess a two-dimensional structure. In this work, we use ab initio calculation and evolutionary algorithm to unveil three…
Despite the recent progress on two-dimensional multilayer materials (2DMM) with weak interlayer interactions, the investigation on 2DMM with strong interlayer interactions is far from its sufficiency. Here we report on first-principles…
2D ferromagnets offer valuable insights into the fundamentals of magnetism and stimulate the progress of ultracompact spintronics. The demand for seamless integration of the materials with the Si technology, particularly helpful to their…
Half-metals, featuring ideal 100\% spin polarization, are widely regarded as key materials for spintronic and quantum technologies; however, the half-metallic state is intrinsically fragile, as it relies on a delicate balance of exchange…
Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
Two-dimensional van der Waals (2D vdW) materials that display ferromagnetism and piezoelectricity have received increased attention. Despite numerous 2D materials have so far been reported as ferromagnetic, developing an air stable and…
The vibrational properties of semiconducting graphene buffer layer epitaxially grown on hexagonal silicon carbide are determined using first-principles calculations on a realistic structural model. Despite the important chemical and…
The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM) doped silicene are systematically explored using spin-dependent density functional computation. We find that the TM atoms decrease the buckling…
We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…
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…
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…
Skyrmions, topologically protected vortex-like nanometric spin textures in magnets, have been attracting increasing attention for emergent electromagnetic responses and possible technological applications for spintronics. In particular,…
Semi-metals are characterized by nodal band structures that give rise to exotic electronic properties. The stability of Dirac semi-metals, such as graphene in two spatial dimensions (2D), requires the presence of lattice symmetries, while…
Titanium silicide is a key contact material in advanced three-dimensional semiconductor device architectures. Here, we examine the formation of ultrathin Ti-silicide on Si(100) using a combination of non-destructive in-situ and ex-situ ion…