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Strong dependence of the fundamental band gap on the alloy composition in cubic InxGa1-xN and InxAl1-xN alloys

Published online by Cambridge University Press:  01 February 2011

Z. Dridi ,
B. Bouhafs  and
P. Ruterana
Z. Dridi
Affiliation:
SIFCOM, UMR6176, CNRS-ENSICAEN, 6, Bld Maréchal Juin, 1450 Caen, France Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes, Algeria.
B. Bouhafs
Affiliation:
Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes, Algeria.
P. Ruterana
Affiliation:
SIFCOM, UMR6176, CNRS-ENSICAEN, 6, Bld Maréchal Juin, 1450 Caen, France
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Abstract

Ab initio total energy calculations, based on the full-potential augmented plane wave method within the local density approximation, are used to study the influence of alloying on the structural and electronic properties of cubic InxGa1-xN and InxAl1-xN ordered alloys in the chalcopyrite and luzonite structures.

We have investigated the lattice parameters and band gap energies. The lattice parameters, exhibit an upward bowing of -0.05 Å and -0.15 Å, respectively for the InxGa1-xN and InxAl1-xN alloys. The composition dependence of the band gap shows a bowing parameter of 1.36 eV for InxGa1-xN. The band gap InxAl1-xN alloys exhibits a bowing parameter of 3.19 eV, and a direct to indirect band gap transition at x (Al) = 0.83. The large bowing effect in InxAl1-xN alloys has been discussed in terms of a composition dependent bowing parameter.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 798: Symposium Y – GaN and Related Alloys , 2003 , Y5.69
Copyright
Copyright © Materials Research Society 2004

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