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March 19, 2001Physical Review Letters247 citations

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

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KKKwiseon KimAZAlex Zunger

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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.

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Kim et al. (2001) studied this question.

synapsesocial.com/papers/6a20931295285195790c90d7https://doi.org/10.1103/physrevlett.86.2609
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