Determination of band structure parameters in nitride alloys for use in quantum well calculations

Dugdale, DJ; Brand, S; Abram, RA; Pugh, SK

Abstract

The empirical pseudopotential method has been used to conduct band structure calculations on gallium and indium nitride and their alloys. Initially, the pseudopotential form factors required for the semi-empirical calculations were obtained using a Monte Carlo fitting approach to obtain good agreement of the predicted band structure with experimental and first-principles band structure results for bulk, unstrained GaN and InN. Empirical band structures were then found using a model based on the virtual crystal approximation for a series of compositions of the alloy GaInN. A complete set of K · p parameters have been extracted from our empirical models using a method which obtains the parameters directly from k · p formulae for them in terms of the wavefunctions and energies at the zone centre.

Citation

Dugdale, D., Brand, S., Abram, R., & Pugh, S. (1999). Determination of band structure parameters in nitride alloys for use in quantum well calculations. physica status solidi (b) – basic solid state physics, 216(1), 351-354. https://doi.org/10.1002/%28sici%291521-3951%28199911%29216%3A1%3C351%3A%3Aaid-pssb351%3E3.0.co%3B2-%23

• Journal Article Type: Article
• Publication Date: Nov 1, 1999
• Deposit Date: Dec 16, 2010
• Journal: physica status solidi (b)
• Print ISSN: 0370-1972
• Electronic ISSN: 1521-3951
• Publisher: Wiley
• Peer Reviewed: Peer Reviewed
• Volume: 216
• Issue: 1
• Pages: 351-354
• DOI: https://doi.org/10.1002/%28sici%291521-3951%28199911%29216%3A1%3C351%3A%3Aaid-pssb351%3E3.0.co%3B2-%23
• Public URL: https://durham-repository.worktribe.com/output/1596101