The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...

In this paper, we have studied the strain, band-edge, and energy levels of cubic InGaAs quantum dots (QDs) surrounded by GaAs. It is shown that overall strain value is larger in InGaAs-GaAs interfaces, as well as in smaller QDs. Also, it is proved that conduction and valence band-edges and electron-hole levels are size dependent; larger QD sizes appeared to result in the lower recombination...

Recently, searching large-bulk band gap topological insulator (TI) is under intensive study. Through k·P theory and first-principles calculations analysis on antimonene, we find that α-phase antimonene can be tuned to a 2D TI under an in-plane anisotropic strain and the magnitude of direct bulk band gap (SOC gap) depends on the strength of spin-orbit coupling (SOC) which is strain-dependent. As...