Electronic structure of cubic ErxGa1−xN using the LSDA+U approach

✍ Scribed by A. Lazreg; Z. Dridi; F. Benkabou; B. Bouhafs

• Book ID: 104080990
• Publisher: Elsevier Science
• Year: 2008
• Tongue: English
• Weight: 255 KB
• Volume: 403
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2008.02.003

✦ Synopsis

Electronic structure calculations were performed for substitutional erbium rare-earth impurity in cubic GaN using density-functional theory calculations within the LSDA+U approach (local spin-density approximation with Hubbard-U corrections). The LSDA+U method is applied to the rare-earth 4f states. The Er x Ga 1Àx N is found to be a semiconductor, where the filled f-states are located in the valence bands and the empty ones above the conduction band edge. The filled and empty f-states are also shown to shift downwards and upwards in the valence and conduction bands, respectively, with increase in the U potentials.