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Wrong Bonds at Compound Semiconductor Grain Boundaries

Published online by Cambridge University Press:  26 February 2011

W. R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
C. H. Lee
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
M. Methfessel
Affiliation:
Fritz-Haber-Institut der MPG, D-1000 Berlin 33, Faradayweg 4-6, Germany.
M. Van Schilfgaarde
Affiliation:
SRI-International, 333 Ravenswood Av., Menlo Park, CA 94025
C. Amador
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
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Abstract

The role of cation-cation and anion-anion “wrong” bonds at compound semiconductor grain boundaries is investigated. Results are presented for the {110} and {001} inversion domain boundaries in SiC and GaAs. The role of electrostatic effects, compensation of over- and undersaturated bonds, “chemical” reconstructions andbond length relaxations are discussed.

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Type
Research Article
Copyright
Copyright © Materials Research Society 1991

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