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Author Gu, Y. M. ♦ Pang, T. ♦ Chen, C. ♦ Wang, E. G. ♦ Ting, C. S. ♦ Bylander, D. M. ♦ Kleinman, L.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ SUPERLATTICES ♦ ELECTRONIC STRUCTURE ♦ SEMICONDUCTOR MATERIALS ♦ GALLIUM NITRIDES ♦ GALLIUM PHOSPHIDES ♦ ALUMINIUM ARSENIDES ♦ INDIUM ARSENIDES ♦ CRYSTAL STRUCTURE ♦ ENERGY GAP ♦ BAND THEORY ♦ CHEMICAL BONDS ♦ AB INITIO CALCULATIONS
Abstract We have performed first-principles relativistic pseudopotential calculations to study the structural and electronic properties of quaternary semiconductor superlattices composed of GaAlAsN, InGaAsP, and GaAlAsP. Due to the complexity and low symmetry of the quaternary superstructure, the total energy as well as the force and stress in the system are calculated to determine the equilibrium structural parameters. The band structures of these quaternary superlattices have been calculated and the energy band gaps have been obtained. A relativistic Hartree-Fock local density approximation pseudopotential calculation also has been performed to reinforce the result of the energy band gap for the GaAlAsN system that is predicted to be gapless. A systematic comparison of the calculated electronic structure of the quaternary superlattices with the related binary compounds is presented. It is found that the virtual-crystal approximation fails to provide a proper description for these systems and the effects of chemical bonding and ionicity of the anion atoms are very important in determining the structural and electronic properties of the quaternary compounds. {copyright} {ital 1996 The American Physical Society.}
ISSN 01631829
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-11-01
Publisher Place United States
Journal Physical Review, B: Condensed Matter
Volume Number 54
Issue Number 19


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