Nucleation, Growth, and Bundling of GaN Nanowires in Molecular Beam Epitaxy: Disentangling the Origin of Nanowire Coalescence.

We investigate the nucleation, growth, and coalescence of spontaneously formed GaN nanowires in molecular beam epitaxy combining the statistical analysis of scanning electron micrographs with Monte Carlo growth models. We find that (i) the nanowire density is limited by the shadowing of the substrate from the impinging fluxes by already existing nanowires, (ii) shortly after the nucleation stage, nanowire radial growth becomes negligible, and (iii) coalescence is caused by bundling of nanowires. The latter phenomenon is driven by the gain of surface energy at the expense of the elastic energy of bending and becomes energetically favorable once the nanowires exceed a certain critical length.

Strain distributions and diffraction peak profiles from crystals with dislocations.

Diffraction profiles for different models of dislocation arrangements are calculated directly by the Monte Carlo method and compared with the strain distributions for the same arrangements, which corresponds to the Stokes-Wilson approximation. It is shown that the strain distributions and the diffraction profiles are in close agreement as long as long-range order is absent. Analytical calculation of the strain distribution for uncorrelated defects is presented. For straight dislocations, the Stokes-Wilson and the Krivoglaz-Wilkens approximations give the same diffraction profiles, with the Gaussian central part and ∝ q(-3) power law at the tails.

Self-regulated radius of spontaneously formed GaN nanowires in molecular beam epitaxy.

We investigate the axial and radial growth of GaN nanowires upon a variation of the Ga flux during molecular beam epitaxial growth. An increase in the Ga flux promotes radial growth without affecting the axial growth rate. In contrast, a decrease in the Ga flux reduces the axial growth rate without any change in the radius. These results are explained by a kinetic growth model that accounts for both the diffusion of Ga adatoms along the side facets toward the nanowire tip and the finite amount of active N available for the growth. The model explains the formation of a new equilibrium nanowire radius after increasing the Ga flux and provides an explanation for two well-known but so far not understood experimental facts: the necessity of effectively N-rich conditions for the spontaneous growth of GaN nanowires and the increase in nanowire radius with increasing III/V flux ratio.

X-ray diffraction peaks from correlated dislocations: Monte Carlo study of dislocation screening.

X-ray diffraction peak profiles are calculated by the Monte Carlo method for arbitrarily correlated dislocations without making any approximations or simplifications. The arrangement of dislocations in pairs with opposite Burgers vectors provides screening of the long-range strains. Moreover, any screening can be modeled by appropriate distribution of the dislocation pairs. Analytical description of the peak profiles is compared with the Monte Carlo results. Symmetric peaks due to screw dislocations and asymmetric peaks due to edge dislocations are simulated and analyzed.