Impact of cation-based localized electronic states on the conduction and valence band structure of Al1-xInxN alloys

Schulz, Stefan; Caro, Miguel A.; O'Reilly, Eoin P.

Impact of cation-based localized electronic states on the conduction and valence band structure of Al1-xInxN alloys

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Published Version

Date

2014

Authors

Schulz, Stefan

Caro, Miguel A.

O'Reilly, Eoin P.

Publisher

AIP Publishing

Published Version

10.1063/1.4872317

Abstract

We demonstrate that cation-related localized states strongly perturb the band structure of Al1-xInxN leading to a strong band gap bowing at low In content. Our first-principles calculations show that In-related localized states are formed both in the conduction and the valence band in Al1-xInxN for low In composition, x, and that these localized states dominate the evolution of the band structure with increasing x. Therefore, the commonly used assumption of a single composition-independent bowing parameter breaks down when describing the evolution both of the conduction and of the valence band edge in Al1-xInxN. (C) 2014 AIP Publishing LLC.

Keywords

Semiconductors , Nitrogen , Offsets , Parameters , Energy , Aluminium , Localized states , III-V semiconductors , Band gap , Band structure

Citation

Schulz, S., Caro, M. A. and O'Reilly, E. P. (2014) 'Impact of cation-based localized electronic states on the conduction and valence band structure of Al1−xInxN alloys', Applied Physics Letters, 104(17), pp. 172102. doi: 10.1063/1.4872317

Copyright

© 2014 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Schulz, S., Caro, M. A. and O'Reilly, E. P. (2014) 'Impact of cation-based localized electronic states on the conduction and valence band structure of Al1−xInxN alloys', Applied Physics Letters, 104(17), pp. 172102 and may be found at http://aip.scitation.org/doi/abs/10.1063/1.4899123

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