First principles study of electronic structure of InN and AlN substitution atomic layers embedded in GaN

Abdelaziz Lakdja 3,  Bachir Bouhafs 2,5,  Pierre Ruterana 1,4

1. Laboratoire CRISMAT - UMR 6508, ISMRA et Universite de Caen, 6 Boulevard de Marechal JUIN, Caen 14050, France
2. Abdus-Salam International Center for Theoretical Physics (ICTP), strada costiera, 11, Trieste 34014, Italy
3. Modelling and Simulation in Materials Science Laboratory (MSMSL), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
4. SIFCOM, UMR6176, CNRS-ENSICAEN, 6 Bld Maréchal Juin, Caen 14050, France
5. Modelling and Simulation in Materials Science Laboratory (MSMSL), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria

Abstract

The electronic structures of an embedded layer in GaN are investigated by means of the first-principles full-potential linearized augmented plane waves method within the local density approximation (LDA). A supercell approach with periodic boundaries is used to study such systems. It is shown that InN and AlN substitution atomic layers embedded in GaN modifies the localization of electronic charge distribution in the valence band maximum (VBM) and in the conduction band minimum (CBM) of InN/GaN and AlN/GaN systems. We discuss also the change of the band gap which depends on the depth of the substitution layer in GaN.

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Presentation: poster at E-MRS Fall Meeting 2005, Symposium F, by Abdelaziz Lakdja
See On-line Journal of E-MRS Fall Meeting 2005

Submitted: 2005-05-05 15:41
Revised:   2005-05-26 13:21
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