Related papers: Structural Studies on Semiconducting Hydrogenated …
In most of the realistic ab initio and model calculations which have appeared on the emission of light from Si nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate…
On the basis of density functional calculations and using Bader's atom in molecule theory, this article presents quantitative microscopic analyses on the bonding properties of amorphous silicon (a-Si) which could reflect in the observable…
Amorphous hydrogenated silicon nitride ($\textit{a}$-SiN$_\mathrm{\textit{x}}$:H) thin films irradiated with 100 MeV Ni$^{7+}$ results in the formation of continuous ion track structures at the lower fluence of $5\times{10^{12}}$…
The study of hexagonal silicon polytypes attracts special attention due to their unique physical properties compared to the traditional cubic phase of Si. Thus, for some hexagonal phases, a significant improvement in the emission properties…
In the paper, the processes occurring during low-temperature growth of non-hydrogenated amorphous Si and polycrystalline Si films on multilayer Si$_3$N$_4$/SiO$_2$/c-Si substrates from molecular beams under conditions of ultrahigh vacuum…
Future laser-interferometric gravitational wave detectors (GWDs) will potentially employ test mass mirrors from crystalline silicon and a laser wavelength of $1550\,\rm{nm}$, which corresponds to a photon energy below the silicon bandgap.…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
Amorphous hydrogenated silicon (a-Si:H) is an important material for surface defect passivation of photovoltaic silicon (Si) wafers in order to reduce their recombination losses. The material is however unstable with regards to hydrogen (H)…
Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…
Hydrogenated silicenes possess peculiar properties owing to the strong H-Si bonds, as revealed by an investigation using first principles calculations. The various charge distributions, bond lengths, energy bands, and densities of states…
Hydrogen bond is often assumed to be a purely electrostatic interaction between a electron-deficient hydrogen atom and a region of high electron density. Here, for the first time, we directly image hydrogen bond in real space by…
The relationship between the luminescence at 1.9 eV and the absorption bands at 2.0 eV and at 4.8 eV were investigated in a wide variety of synthetic silica samples exposed to different gamma- and beta-ray irradiation doses. We found that…
The evolution is presented of infrared transmission spectra of hydrogenated and chlorinated amorphous silicon films versus the chlorine concentration and the annealing temperature. As the chlorine content increases, an increase of the 2100…
We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22…
This study reports on the optical, structural, and dielectric properties of aluminum tantalum oxide (Al$_x$Ta$_y$O$_z$) thin films deposited at low temperature on silicon and steel substrates by pulsed direct current reactive magnetron…
Recent theoretical studies of amorphous silicon [Y. Pan et al. Phys. Rev. Lett. 100 206403 (2008)] have revealed subtle but significant structural correlations in network topology: the tendency for short (long) bonds to be spatially…
The distribution of Ge-O-Ge and Si-O-Si bond angles alpha in amorphous germania and silica is re-determined on the basis of diffraction experiments. The bond angle alpha joining adjacent tetrahedra is the central parameter of any continuous…
ZrO2:10%SiO2 thinfilms have been deposited on fused silica substrate by reactive electron beam co-evaporation technique at different oxygen partial pressure. The structural analysis shows tetragonal phase with residual tensile stress in the…
Recent experiments on hydrogenated amorphous silicon using infrared absorption spectroscopy have indicated the presence of mono- and divacancy in samples for concentration of up to 14\% hydrogen. Motivated by this observation, we study the…
Superconducting resonators used in millimeter-submillimeter astronomy would greatly benefit from deposited dielectrics with a small dielectric loss. We deposited hydrogenated amorphous silicon films using plasma-enhanced chemical vapor…