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Solid Solutions of AB2C4 Defect Semiconductors

Published online by Cambridge University Press:  28 February 2011

T.M. de Pascale ,
M. Marinelli ,
F. Meloni ,
G. Mula ,
M. Serra ,
A. Borghesi ,
G. Guizzetti  and
L. Nosenzo
T.M. de Pascale
Affiliation:
Dipartimento di Scienze Fisiche and GNSM-CISM, Universita& 09124 Cagliari, Italy
M. Marinelli
Affiliation:
Dipartimento di Scienze Fisiche and GNSM-CISM, Universita& 09124 Cagliari, Italy
F. Meloni
Affiliation:
Dipartimento di Scienze Fisiche and GNSM-CISM, Universita& 09124 Cagliari, Italy
G. Mula
Affiliation:
Dipartimento di Scienze Fisiche and GNSM-CISM, Universita& 09124 Cagliari, Italy
M. Serra
Affiliation:
Istituto di Astronomia e Fisica Superiore and GNSM-CISM, Universita& 09124 Cagliari, Italy
A. Borghesi
Affiliation:
Dipartimento di Fisica and GNSM-CISM, Universita& 27100 Pavia, Italy
G. Guizzetti
Affiliation:
Dipartimento di Fisica and GNSM-CISM, Universita& 27100 Pavia, Italy
L. Nosenzo
Affiliation:
Dipartimento di Fisica and GNSM-CISM, Universita& 27100 Pavia, Italy
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Abstract

AB2C4 defect semiconductors can be thought of as generalized zincblende compounds, in which the presence of two different cations and of vacant sites favours the formation of several crystalline phases. In this work we present a theoretical study of the structural stability of the ZnxCdl-xIn2S4 solid solutions. The end compounds crystallize in a layer (x = 1) and in a spinel structure (x = 0). Total energy first principle calculations have been performed for both phases and for various values of x. The theoretical structural stability diagram compares very well with experiment.

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Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 195
Copyright
Copyright © Materials Research Society 1989

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