Related papers: Novel Two-dimensional SiC2 Sheet with Full Pentago…
The ability to construct 2D systems, beyond materials natural formation, enriches the search and control capability of new phenomena. For instance, the synthesis of topological lattices of vacancies on metal surfaces through scanning…
Future nano-scale electronics built up from an Avogadro number of components needs efficient, highly scalable, and robust means of communication in order to be competitive with traditional silicon approaches. In recent years, the…
This article reviews silicene, a relatively new allotrope of silicon, which can also be viewed as the silicon version of graphene. Graphene is a two-dimensional material with unique electronic properties qualitatively different from those…
The typical two-dimensional semiconductors, group \uppercase\expandafter{\romannumeral3A} chalcogenides, have garnered tremendous interest for their outstanding electronic, mechanical, and chemical properties. However, so far, there have…
There has been an upsurge in the discovery of topological quantum materials, where various topological insulators and semimetals have been theoretically predicted and experimentally observed. However, only very few of them contains silicon,…
In this paper, using the same geometrical approach than for the (2R3x2R3) R30{\deg} structure (H. Jamgotchian et al., 2015, Journal of Physics. Condensed Matter 27 395002), for the (R13xR13)R13.9{\deg} type II structure, we propose an…
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…
Novel extended networks of C8, Si8 and silicon carbide Si4C4 are proposed based on crystal chemistry rationale and optimized structures to ground state energies and derived physical properties within the density functional theory (DFT). The…
We report on the discovery of a 2-dimensional copper-bismuth nano sheet from \textit{ab initio} calculations, which we call cubine. According to our predictions, single layers of cubine can be isolated from the recently reported…
The buckled structure of silicene leads to the possibility of new kinds of line defects that separate regions with reversed buckled phases. In the present work we show that these new grain boundaries have very low formation energies, one…
Carbon allotropes have vast potential in various applications, including superconductivity, energy storage, catalysis, and photoelectric semiconductor devices. Recently, there has been significant research interest in exploring new carbon…
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.…
Using empirical scheme, atomic structure of a new exotic class of silicon nanoclusters was elaborated upon the central icosahedral core (Si-IC) and pentagonal petals (Si-PP) growing from Si-IC vertexes. It was shown that Si-IC/Si-PP…
Two-dimensional (2D) materials are among the most promising candidates for next-generation electronics due to their atomic thinness, allowing for flexible transparent electronics and ultimate length scaling. Thus far, atomically-thin p-n…
By the generalized gradient approximation in framewok of density functional theory, we investigate a 2D topological insulator of new silicon allotrope (call dumbbell silicene synthesized recently by Cahangirov et al) through tuning external…
Graphene, a flat monolayer of carbon atoms tightly packed into a two-dimensional honeycomb lattice (a one atom thick graphite sheet), is presently the hottest material in nanoscience and nanotechnology. Its challenging hypothetical…
Recent observations of two nodeless gaps in superconducting CeCu$_2$Si$_2$ have raised intensive debates on its exact gap symmetry, while a satisfactory theoretical basis is still lacking. Here we propose a phenomenological approach to…
With the reported synthesis of a fully planar 2D silicon carbide (SiC) allotrope, the possibilities of its technological applications are enormous. Recently, several authors have computationally studied the structures and electronic…
Tailoring and enhancing the interaction between light and matter is of great importance for both fundamental researches and future photonic and optoelectronic applications. Due to their high exciton oscillator strength and large exciton…
CaSb2 is a topological nodal-line semimetal that becomes superconducting below 1.6 K, providing an ideal platform to investigate the interplay between topologically nontrivial electronic bands and superconductivity. In this work, we…