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Theory of Ga, N and H terminated GaN (0001)/(0001) surfaces

Published online by Cambridge University Press:  10 February 2011

J. Eisner ,
M. Haugk ,
R. Gutierrez  and
Th. Frauenheim
J. Eisner
Affiliation:
Technische Universität Chemnitz, Theoretische Physik III, D – 09107 Chemnitz, Germany
M. Haugk
Affiliation:
Technische Universität Chemnitz, Theoretische Physik III, D – 09107 Chemnitz, Germany
R. Gutierrez
Affiliation:
Technische Universität Chemnitz, Theoretische Physik III, D – 09107 Chemnitz, Germany
Th. Frauenheim
Affiliation:
Technische Universität Chemnitz, Theoretische Physik III, D – 09107 Chemnitz, Germany
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Abstract

We present a theoretical study of atomic structures, electrical properties and formation energies for a variety of possible reconstructions with 1×1 and 2×2 periodicity of the GaN(0001) and (0001) surfaces. We find that during MBE growth in the (0001) direction 2×2 structures become stable under N rich growth conditions while Ga rich environment should yield structures with 1×1 periodicity. Considering MBE growth on (0001) surfaces, among the investigated structures only those with 1×1 periodicity are predicted to be stable. During MOCVD growth, where H terminated surfaces may occur, only structures with lx1 periodicity are found to be stable for both growth directions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 482 , 1997 , 935
Copyright
Copyright © Materials Research Society 1998

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