Electronic structure calculations on nitride semiconductors
- 1 January 1999
- journal article
- Published by IOP Publishing in Semiconductor Science and Technology
- Vol. 14 (1) , 23-31
- https://doi.org/10.1088/0268-1242/14/1/003
Abstract
A series of calculations have been performed on group-III nitrides (GaN, AlN and InN) in both zinc-blende and wurtzite structures. Three different levels of computation have been performed in an integrated programme of study: first-principles total energy calculations, semi-empirical pseudopotential calculations and calculations. Bandstructures are obtained from each method in a consistent manner, and used to provide effective masses and parameters for planned work on the electronic structure of alloys and quantum well heterostructures.Keywords
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