相关论文: Novel Two-Dimensional Silicon Dioxide with in-plan…
Light-matter interactions in two-dimensional (2D) materials have gained significant interest due to their distinctive optical and electronic properties. Recently, silicates have emerged as a promising new class of 2D materials, but their…
Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap…
Two-dimensional (2D) Dirac-like electron gases have attracted tremendous research interest ever since the discovery of free-standing graphene. The linear energy dispersion and non-trivial Berry phase play the pivotal role in the remarkable…
Based on {\em ab initio} calculation, we propose a new structure for the fundamental excitation of the reconstructed 30$^\circ$ partial dislocation in silicon. This soliton has a rare structure involving a five-fold coordinated atom near…
We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled…
Auxetic materials are characterized by a negative Poisson's ratio, $\mathrm{\nu}$. As the Poisson's ratio becomes negative and approaches the lower isotropic mechanical limit of $\mathrm{\nu = -1}$, materials show enhanced resistance to…
The origin of the large-scale stripe pattern of epitaxial silicene on the ZrB$_2$(0001) surface observed by scanning tunneling microscope experiments is revealed by first-principles calculations. Without stripes, the…
Lately, the three-dimensional (3D) Dirac semimetal, which possesses 3D linear dispersion in electronic structure as a bulk analogue of graphene, has generated widespread interests in both material science and condensed matter physics. Very…
Elastic materials with holes and inclusions are important in a large variety of contexts ranging from construction material to biological membranes. More recently, they have also been exploited in mechanical metamaterials, where the…
Recently, Vito Diana, Andrea Bacigalupo, Marco Lepidi and Luigi Gambarotta proposed an anisotropic continuum-molecular model based on pair potentials for describing the linear behavior of periodic heterogeneous Cauchy materials in the…
The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m, n<=4;n<=m) clusters. An all electron 6-311++G** basis set…
Due to the drastically different intralayer versus interlayer bonding strengths, the mechanical, thermal, and electrical properties of two-dimensional (2D) materials are highly anisotropic between the in-plane and out-of-plane directions.…
We report the first angle-resolved photoemission measurement of the wave-vector dependent plasmon satellite structure of a three-dimensional solid, crystalline silicon. In sharp contrast to nanomaterials, which typically exhibit strongly…
We propose a novel two-dimensional hierarchical auxetic structure consisting of a porous medium in which a homogeneous matrix includes a rank-two set of cuts characterised by different scales. The six-fold symmetry of the perforations makes…
Silicon nanostructuring imparts unique material properties including antireflectivity, antifogging, anti-icing, self-cleaning, and/or antimicrobial activity. To tune these properties however, a good control over features size and shape is…
The structural, electronic and dynamical properties of a group of 2D germanium-based compounds, including GeC, GeN, GeO, GeSi, GeS, GeSe, and germanene, are investigated by employing first-principles calculations. The most stable structure…
Materials with Dirac point are so amazing since the charge carriers are massless and have an effective speed of light. Among the reported two-dimensional silicon allotropes, no one showing such exciting nature was proved experimentally.…
Exploring new two-dimensional (2D) van der Waals (vdW) systems is at the forefront of materials physics. Here, through molecular beam epitaxy on graphene-covered SiC(0001), we report successful growth of AlSb in the double-layer honeycomb…
The elemental two-dimensional (2D) materials such as graphene, silicene, germanene, and black phosphorus have attracted considerable attention due to their fascinating physical properties. Structurally they possess the honeycomb or…
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…