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Advances in Condensed Matter Physics
Volume 2015, Article ID 469487, 6 pages
Research Article

Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface

Departamento de Física, Universidade Federal do Maranhão, 65080-805 São Luís, MA, Brazil

Received 20 February 2015; Revised 29 April 2015; Accepted 6 May 2015

Academic Editor: Ram N. P. Choudhary

Copyright © 2015 M. B. Pereira et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Structural and electronic properties of the interface between α-Al2O3 (0001) and GaN (0001) surfaces are investigated through ab initio calculations within the density functional theory. Two different structural models have been investigated interface N(Ga)-terminated. The interface N-terminated GaN surface seems to exhibit the lowest formation energy. The studied interface models are metallic, with the levels at energy spatially confined in the interface region. Our calculations show strong hybridization between atoms in the interface region.