Spatial Correlations in GaInAsN Alloys and their Effects on Band-Gap Enhancement and Electron Localization

Kwiseon Kim and Alex Zunger
Phys. Rev. Lett. 86, 2609 – Published 19 March 2001
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Abstract

In contrast to pseudobinary alloys, the relative number of bonds in quaternary alloys cannot be determined uniquely from the composition. Indeed, we do not know if the Ga0.5In0.5As0.5N0.5 alloy should be thought of as InAs+GaN or as InN+GaAs. We study the distribution of bonds using Monte Carlo simulation and find that the number of In-N and Ga-As bonds increases relative to random alloys. This quaternary-unique short range order affects the band structure: we calculate a blueshift of the band gap and predict the emergence of a broadband tail of localized states around the conduction band minimum.

  • Received 14 August 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.2609

©2001 American Physical Society

Authors & Affiliations

Kwiseon Kim and Alex Zunger

  • National Renewable Energy Laboratory, Golden, Colorado 80401

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Vol. 86, Iss. 12 — 19 March 2001

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