Giant and Composition-Dependent Optical Bowing Coefficient in GaAsN Alloys

Su-Huai Wei and Alex Zunger
Phys. Rev. Lett. 76, 664 – Published 22 January 1996
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Abstract

Using first-principles supercell calculations we find a giant (7–16 eV) and composition-dependent optical bowing coefficient in GaAs1xNx alloys. We show that both effects are due to the formation in the alloy of spatially separated and sharply localized band edge states. Our analysis suggests that in semiconductor alloys band gap variation as a function of x can be divided into two regions: (i) a bandlike region where the bowing coefficient is relatively small and nearly constant, and (ii) an impuritylike region where the bowing coefficient is relatively larger and composition dependent. For GaAs1xNx the impuritylike behavior persists even for concentrated alloys.

  • Received 9 August 1995

DOI:https://doi.org/10.1103/PhysRevLett.76.664

©1996 American Physical Society

Authors & Affiliations

Su-Huai Wei and Alex Zunger

  • National Renewable Energy Laboratory, Golden, Colorado 80401

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Vol. 76, Iss. 4 — 22 January 1996

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