The diffusion of Ga and N adatoms has been studied for the technologically relevant wurtzite (000bar1) and (0001) surfaces employing density-functional theory. Our calculations reveal a very different diffusivity for Ga and N adatoms on the equilibrium surfaces: While Ga is very mobile at typical growth temperatures, the diffusion of N is by orders of magnitudes slower. These results give a very detailed insight of how and under which growth conditions N adatoms can be stabilized and efficiently incorporated at the surface. We further find that the presence of excess N strongly increases the Ga diffusion barrier and discuss the consequences for the growth of GaN.
@article{arxiv.cond-mat/9809006,
title = {Adatom Diffusion at GaN (0001) and (000bar1) Surfaces},
author = {T. Zywietz and J. Neugebauer and M. Scheffler},
journal= {arXiv preprint arXiv:cond-mat/9809006},
year = {2009}
}
Comments
4 pages, 4 figures, Appears in Appl. Phys. Lett. Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.html