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Offsets and Polarization at Strained AlN/GaN Polar Interfaces

Published online by Cambridge University Press:  10 February 2011

Fabio Bernardini ,
Vincenzo Fiorentini  and
David Vanderbilt
Fabio Bernardini
Affiliation:
INFM - Dipartimento di Scienze Fisiche, Università di Cagliari, I-09124 Cagliari, Italy
Vincenzo Fiorentini
Affiliation:
INFM - Dipartimento di Scienze Fisiche, Università di Cagliari, I-09124 Cagliari, Italy
David Vanderbilt
Affiliation:
Department of Physics and Astronomy, Rutgers University, Piscataway, NJ, U.S.A.
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Abstract

The strain induced by lattice mismatch at the interface is responsible for the different value of the band discontinuities observed recently for the AlN/GaN (AlN on GaN) and the GaN/AlN (GaN on AlN) polar (0001) interface. We present a first-principles calculation of valence band offsets, interface dipoles, strain-induced piezoelectric fields, relaxed geometric structure, and formation energies. Our results confirm the existence of a large forward-backward asymmetry for this interface.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 449: Symposium N – III-V Nitrides , 1996 , 923
Copyright
Copyright © Materials Research Society 1997

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References

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