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A First Model of Amorphous GaN from Ab Initio Molecular Dynamics

Published online by Cambridge University Press:  10 February 2011

D. A. Drabold  and
Petra Stumm
Petra Stumm
Affiliation:
Department of Physics and Astronomy, Ohio University, Athens, OH 45701drabold@roma.phy.ohiou.edu
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Abstract

A probable byproduct of growth of crystalline GaN is an amorphous phase of the material. In this paper, we propose a structural model of amorphous GaN obtained from ah initio molecular dynamics. The radial distribution function, local bonding, electronic density of states and vibrational spectra are described. The network we obtain is highly disordered but exhibits a large state-free optical gap, and has no wrong (homopolar) bonds. These predictions are intended to elucidate the experimental signatures of amorphous GaN.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 449: Symposium N – III-V Nitrides , 1996 , 947
Copyright
Copyright © Materials Research Society 1997

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References

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