Related papers: Adatom Diffusion at GaN (0001) and (000bar1) Surfa…
Diffusion of Ga adatom at the As rich, low temperature c(4$\times$4) reconstructions of GaAs(001) surface is analyzed. We use known energy landscape for the motion of Ga adatom at two different $\alpha$ and $\beta$ surface phases to…
Employing first principles total energy calculations we have studied the behavior of Ga and Al adatoms on the GaAs(001)-beta2 surface. The adsorption site and two relevant diffusion channels are identified. The channels are characterized by…
The diffusivity of Ga and Al adatoms on the (2x4) reconstructed GaAs(001) surface are evaluated using detailed ab initio total energy calculations of the potential energy surface together with transition state theory. A strong diffusion…
It is shown that quantum effects play determining role in nitrogen adatom diffusion due to several different factors. This could be related to the change of the energy of the quantum states and also due to the redistribution of electrons…
Convenient variational formula for collective diffusion of many particles adsorbed at lattices of arbitrary geometry is formulated. The approach allows to find the expressions for the diffusion coefficient for any value of the system's…
We study the adsorption behavior of Ga on (0001) GaN surfaces combining experimental specular reflection high-energy electron diffraction with theoretical investigations in the framework of a kinetic model for adsorption and ab initio…
We have examined the formation mechanisms of GaN quantum dots (QDs) via annealing of Ga droplets in a nitrogen flux. We consider the temperature and substrate dependence of the size distributions of droplets and QDs, as well as the relative…
Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces is analyzed basing on ab-initio surface potentials. As compared to the simple single adatom jumps that alternate between two states, dimers undergo more complex diffusion…
The use of highly efficient and solarblind GaN photocathodes as part of multichannel plate UV detectors for applications in astronomy would strongly benefit from the direct growth of GaN on typical window materials with high transmission…
In this Letter, we present results of an extensive Monte Carlo study of the O/W(110) system under non-equilibrium conditions. We study the mean square displacements and long wavelength density fluctuations of adatoms. From these quantities,…
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…
We have studied initial growth of Sn atoms on Ge(001) surfaces at room temperature and 80 K by scanning tunneling microscopy. For Sn deposition onto the Ge(001) substrate at room temperature, the Sn atoms form two kinds of one-dimensional…
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…
Images of the morphology of GaN (0001) surfaces often show half-unit-cell-height steps separating a sequence of terraces having alternating large and small widths. This can be explained by the $\alpha \beta \alpha \beta$ stacking sequence…
We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that the dynamical energy…
We studied the diffusion coefficient of hot electrons of GaN crystals in moderate electric (1...10 kV/cm) and magnetic (1...4 T) fields. Two configurations, parallel and crossed fields, are analysed. The study was carried out for…
The growth of NiO on GaN(00.1) substrates by plasma-assisted molecular beam epitaxy under oxygen rich conditions was investigated at growth temperatures between 100 $^{\circ}$C and 850 $^{\circ}$C. Epitaxial growth of NiO(111) with two…
Using kinetic Monte Carlo simulations and a bond-counting ansatz, thermal stability and diffusion of an adatom island on a crystal surface are studied. At low temperatures, the diffusion constant $D$ is found to decrease for a wide range of…
In this paper some specific issues related to point defects in GaAs nanowires are addressed with the help of density functional theory calculations. These issues mainly arise from the growth of nanowires under conditions different from…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…