The strain induced by lattice mismatch at the interface is responsible for the different value of the band discontinuities observed recently for the AlN/GaN (AlN on GaN) and the GaN/AlN (GaN on AlN) polar (0001) interface. We present a first-principles calculation of valence band offsets, interface dipoles, strain-induced piezoelectric fields, relaxed geometric structure, and formation energies. Our results confirm the existence of a large forward-backward asymmetry for this interface.
@article{arxiv.cond-mat/9612107,
title = {Offsets and polarization at strained AlN/GaN polar interfaces},
author = {Fabio Bernardini and Vincenzo Fiorentin and David Vanderbilt},
journal= {arXiv preprint arXiv:cond-mat/9612107},
year = {2008}
}
Comments
6 pages, 2 figures, MRS style (enclosed), to appear in MRS Proc. 448