Related papers: Gallium adsorption on (0001) GaN surfaces
First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) surfaces. Our calculations reveal that the binding and activation…
Extensive Langevin dynamics simulations are used to characterize the adsorption transition of a flexible magnetic filament grafted onto an attractive planar surface. Our results identify different structural transitions at different ratios…
GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, and oxygen may be included at this stage. Oxidation represents…
Results of a first-principles study of the Li impurity in GaN are presented. We find Li is a channel interstitial, with an onset for diffusion at T$\sim$ 600 K. Above this temperature, Li can transform to a Ga-substitutional acceptor by…
Warm absorber spectra contain bound-bound and bound-free absorption features seen in the X-ray and UV spectra from many active galactic nuclei (AGN). The widths and centroid energies of these features indicate they occur in outflowing gas,…
It is shown that experimentally obtained isotherms of adsorption on solid substrates may be completely reconciled with Lifshitz theory when thermal fluctuations are taken into account. This is achieved within the framework of a…
A comprehensive first-principles study of the energetics, electronic and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is…
We present a wide grid of models for the structure and transmission properties of warm absorbers in active galactic nuclei (AGN). Contrary to commonly used constant density models, our absorbing cloud is assumed to be under constant total…
The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…
Computer simulations are employed to investigate the adsorption mechanisms of ethane on both homogeneous and inhomogeneous substrates. For homogeneous surfaces, the full range of surface phase transitions - from incomplete to complete…
We report on the analysis of electroabsorption in thin GaAs/Al$_{0.3}$Ga$_{0.7}$As nanophotonic waveguides with an embedded $p$-$i$-$n$ junction. By measuring the transmission through waveguides of different lengths, we derive the…
Gallium nanoparticles (Ga-NPs) exhibit promising plasmonic properties spanning ultraviolet to infrared spectral regions, making them suitable for diverse nanophotonic applications. However, the synthesis of uniform and ordered Ga-NP arrays…
The evolution of surface morphology during the growth of N-polar (000-1) GaN under N-rich condition is studied by kinetic Monte Carlo (kMC) simulations for two substrates miscuts 2deg and 4deg. The results are compared with experimentally…
Neutrino absorption cross sections for 71Ga are calculated for all solar neutrino sources with standard energy spectra, and for laboratory sources of 51Cr and 37Ar; the calculations include, where appropriate, the thermal energy of fusing…
We present, in this work, our preliminary results of a systematic theoretical study of the adsorption of N over As-terminated GaAs (100) (2$\times$1) surfaces. We analyzed the changes in the bond-lenghts, bond-angles and the energetics…
The theory of nucleation of nanoscale structures of the adsorbed atoms (adatoms), which occurs as a result of the self-consistent interaction of adatoms with the surface acoustic wave and electronic subsystem is developed. Temperature…
The temperature dependence of surface tension \gamma(T) at liquid gallium is studied theoretically and experimentally using light scattering from capillary waves. The theoretical model based on the Gibbs thermodynamics relates the…
A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The…
We propose a self-consistent model taking into account variations in adsorption properties of the adsorbent surface in the process of adsorption--desorption of molecules of gas on it. We introduce a dimensionless coupling parameter that…
The morphology of GaN samples grown by plasma-assisted molecular beam epitaxy on Si(111) was systematically studied as a function of impinging Ga/N flux ratio and growth temperature (750-850{\deg}C).Two different growth regimes were…