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...

Zinc sulfide (ZnS) films were deposited through a simple and low cost spray pyrolytic technique using mixed aqueous solutions of zinc nitrate and thiourea. The structural and optical properties of these films were investigated as a function of initial (Zn:S) molar ratio in the precursor solution, which varied between (1:1) and (1:3). X-ray diffraction (XRD) analysis revealed that wurtzite...

Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...

to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

The spectra of Raman scattering (in the region 4-350 cm -1 ) dilute aqueous solutions hydrogen peroxide in a wide range concentrations (from 3 to 0.024%), were measured. spectral parameters high-frequency band intermolecular (longitudinal) vibrations, obtained using previously proposed approximating function, analyzed. To do this, (for each experiment) plotted on diagram which abscissa axis is ...

The emission spectrum of individual high-quality ZnO nanowires consists of a series of Fabry-Pérot-like eigenmodes that extend far below the band gap of ZnO. Spatially resolved luminescence spectroscopy shows that light is emitted predominantly at both wire ends, with identical spectra reflecting standing wave polariton eigenmodes. The intensity of the modes increases supralinearly with the exc...