Impact of cation-based localized electronic states on the conduction and valence band structure of Al{sub 1−x}In{sub x}N alloys

Journal Article · Mon Apr 28 00:00:00 EDT 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4872317· OSTI ID:22267745

Caro, M. A.; O'Reilly, E. P. ^[1]

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1. Photonics Theory Group, Tyndall National Institute, Dyke Parade, Cork (Ireland)

We demonstrate that cation-related localized states strongly perturb the band structure of Al{sub 1−x}In{sub x}N 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 Al{sub 1−x}In{sub x}N 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 Al{sub 1−x}In{sub x}N.

• OSTI ID: 22267745
• Journal Information: Applied Physics Letters, Vol. 104, Issue 17; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM
BAND THEORY
CATIONS
ENERGY GAP
INDIUM
NITROGEN
VALENCE