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Electronic Structure of Biaxially-Strained Wurtzite Crystals GaN and AlN

Published online by Cambridge University Press:  10 February 2011

J. A. Majewski ,
M. Städele  and
P. Vogl
J. A. Majewski
Affiliation:
Walter Schottky Institute, Technical University of Munich, D-85748 Garching, Germany ABSTRACT
M. Städele
Affiliation:
Walter Schottky Institute, Technical University of Munich, D-85748 Garching, Germany ABSTRACT
P. Vogl
Affiliation:
Walter Schottky Institute, Technical University of Munich, D-85748 Garching, Germany ABSTRACT
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Abstract

We present first-principles studies of the effect of biaxial (OOOl)-strain on the electronic structure of wurtzite GaN, and A1N. We provide accurate predictions of the valence band splittings as a function of strain, which may facilitate the interpretation of data from strained samples. The conduction and valence band effective mass tensors for A1N and GaN are also presented. The computed crystal-field and spin-orbit splittings in unstrained materials as well as the computed deformation potentials are in accord with available experimental data. We show that the numerically computed band energies can be excellently represented in terms of a 6-band k · p model. The present calculations are based on the first-principles pseudopotential method within the local-density formalism and include the spin-orbit interactions non-perturbatively.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 449: Symposium N – III-V Nitrides , 1996 , 887
Copyright
Copyright © Materials Research Society 1997

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References

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