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Type: Artigo de periódico
Title: Microscopic Description Of The Phase Separation Process In Al Xgayin1-x-yn Quaternary Alloys
Author: Marques M.
Teles L.K.
Scolfaro L.M.R.
Ferreira L.G.
Leite J.R.
Abstract: Ab initio total energy electronic structure calculations are combined with Monte Carlo simulations to study the thermodynamic properties of Al xGayIn1-x-yN quaternary alloys. We provide a microscopic description of the phase separation process by analyzing the thermodynamic behavior of the different atoms with respect to the temperature and cation contents. We obtained, at growth temperatures, the range of compositions for the stable and unstable phases. The presence of Al in InGaN is proven to "catalyze" the phase separation process for the formation of the In-rich phase. Based on our results, we propose that the ultraviolet emission currently seen in samples containing AlInGaN quaternaries arises from the matrix of a random alloy, in which composition fluctuations toward InGaN- and AlGaN-like alloys formation may be present, and that a coexisting emission in the green-blue region results from the In-rich segregated clusters.
Citation: Physical Review B - Condensed Matter And Materials Physics. , v. 70, n. 7, p. 73202 - 1-073202-4, 2004.
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.70.073202
Date Issue: 2004
Appears in Collections:Unicamp - Artigos e Outros Documentos

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