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Structural and Electronic Properties of Narrow Gap Zincblende and Chalcopyrite Compounds

Published online by Cambridge University Press:  16 February 2011

T.M. de Pascale ,
F. Meloni ,
M. Serra ,
S. Massidda ,
A. Continenza  and
A. J. Freeman
T.M. de Pascale
Affiliation:
Dipartimento di Scienze Fisiche, Universita' di Cagliari, Italy
F. Meloni
Affiliation:
Dipartimento di Scienze Fisiche, Universita' di Cagliari, Italy
M. Serra
Affiliation:
Istituto di Fisica Superiore, Universita' di Cagliari, Italy
S. Massidda
Affiliation:
IRRMA, Lausanne, Switzerland.
A. Continenza
Affiliation:
Department of Physics and Material Research Center Northwestern University, Evanston Il 60208, USA
A. J. Freeman
Affiliation:
Department of Physics and Material Research Center Northwestern University, Evanston Il 60208, USA
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Abstract

Indium compounds and corresponding epitaxially grown superlattices have provided good single crystals suitable for accurate experimental measurements and have added new interest to the study of the constituent bulk semiconductors and the II-IV-V2 chalcopyrite crystal phases. This paper reports results of structural and electronic properties of narrow gap binary and ternary semiconductors determined selfconsistently from first principles using both the full potential linearized augmented plane wave (FLAPW) and norm-conserving pseudopotentials (PP) total-energy methods.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 119
Copyright
Copyright © Materials Research Society 1990

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References

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