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Reconstruction of Nonpolar Gan Surfaces

Published online by Cambridge University Press:  15 February 2011

J. Elsner ,
M. Haugk  and
Th. Frauenheim
J. Elsner
Affiliation:
Theoretische Physik III, Technische Universität Chernnitz, 09107 Chemnitz, Germany
M. Haugk
Affiliation:
Theoretische Physik III, Technische Universität Chernnitz, 09107 Chemnitz, Germany
Th. Frauenheim
Affiliation:
Theoretische Physik III, Technische Universität Chernnitz, 09107 Chemnitz, Germany
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Abstract

A density-functional theory based nonorthogonal tight-binding scheme is used to investigate the nonpolar surfaces of GaN in the wurtzite and zinc-blende phases. In III-V semiconductors the nonpolar surfaces mainly reconstruct by a bond-length conserving rotation of the surface atoms. In contrast to that for all nonpolar GaN surfaces this bond-length is shortened by ≈3 − 4%. We furthermore find the rotation angle to be significantly smaller than could be expected from results for GaAs and GaP.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 423: Symposium E – III-Nitride, SiC, and Diamond Materials for Electronic , 1996 , 421
Copyright
Copyright © Materials Research Society 1996

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