Silicon carbide nanotubes (SiCNTs) have broad application prospects in the field of micro-
nanodevices due to their excellent physical properties. Based on first-principles, the …

In this work we carried out density functional theory calculations combined with many-body
perturbation formalism to study the structural, electronic and optical properties of a …

During the last decade, numerous high-quality two-dimensional (2D) materials with
semiconducting electronic character have been synthesized. Recent experimental study …

The electronic and optical properties of BeO in wurtzite bulk and sheet structures are
investigated by using ab-initio density functional theory calculations combined with many …

Using ab-initio density functional theory calculations combined with many-body perturbation
formalism we carried out the electronic structure and optical properties of 2D graphene-like …

We investigated the effect of uniaxial pressure on pristine silicon carbide nanotubes and
silicon carbide nanotubes with different orientations of Stone Wales defects. Based on Si-C …

We have theoretically investigated the effect of applying longitudinal and transverse electric
field on silicon carbide nanotubes with different orientations of Stone Wales defects. We …

Using first principles calculations, structural, electronic and optical properties of monolayer
penta-graphene (MPG) have been studied under different types of in-plane biaxial strains at …

Density functional theory has been employed to study the electronic and mechanical
properties of the monolayer and bilayer ZnS. AB stacked ZnS bilayer is found to be …

Using ab-initio density functional theory, the HSE06 functional, the quasi-particle G 0 W 0
method and Bethe–Salpeter equation calculations, we systematically explore the electronic …