Large-Cd-concentration (Ego3.0 eV) CdZnO thin films were grown using molecular-beam epitaxy. Variable-temperature photoluminescence measurements were performed on three typical CdZnO samples having pure wurtzite, pure rocksalt, and wurtzite–rocksalt mixture structures, respectively. The temperature dependence of the CdZnO bandgap shrinkage was investigated and analyzed based on the The temperat...

The O-doped ZnTe (ZnTe! xOx) alloys present induce levels through O doping into the host semiconductor gap. ZnTe usually crystallizes in the zinc-blend structure and ZnO in the wurtzite structure under normal conditions. Therefore two possible ZnTe5 xOx phases may coexist, although in different proportions, depending on experimental growth conditions. We present total energy calculations and an...

Existing examples of Peierls-type 1D systems on surfaces involve depositing metallic overlayers on semiconducting substrates, in particular, at step edges. Here we propose a new class of Peierls system on the (101[over ¯]0) surface of metal-anion wurtzite semiconductors. When the anions are bonded to hydrogen or lithium atoms, we obtain rows of threefold coordinated metal atoms that act as one-...

Wurtzite structure gallium nitride (GaN) thin film was grown on a c-plane sapphire (0001) substrate through spin coating method followed by nitridation process. Readily available and cheap gallium (III) nitrate hydrate (Ga(NO3)3·xH2O) powder was used as the gallium source. Besides that, ethanol-based precursor solution which has better wetting properties and fast evaporation rate was prepared. ...

A novel attosecond multilayer mirror was designed at “water-window” wavelengths (from 2.33 nm to 4.36 nm) using a combination of TiO2 and ZnO, because both rutile TiO2 and wurtzite ZnO can be grown epitaxially together on the same c-plane sapphire substrate in spite of the different crystal structures of the molecule hexagonal units of rutile TiO2, wurtzite ZnO and sapphire. The theoretical cal...

Kinetics of the wurtzite-to-rock-salt transformation in ZnO has been studied in the 5-7 GPa pressure range at temperatures below the activation of diffusion processes. The detailed analysis of non-isothermal experimental data using the general evolution equation describing the kinetics of direct phase transformations in solids allowed us to study the kinetic particularities of both nucleation a...

Optical properties such as the dynamic dielectric function, reflectance, and energy-loss function of beryllium oxide (BeO) in its ambient and high-pressure phases are reported for a wide energy range of 0–50 eV. The calculations of optical properties employ first-principles methods based on all-electron density functional theory together with sum over states and finite-field methods. Our result...

The energies of the intrinsic stacking fault in 20 tetrahedrally coordinated crystals, determined by electron microscopy from the widths of extended dislocations, range from a few mJ/m to 300 mJ/m. The reduced stacking fault energy (RSFE: stacking fault energy per bond perpendicular to the fault plane) has been found to have correlations with the effective charge, the charge redistribution inde...