First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal Al x Ga y In1–x–y N semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence mea...

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Bibliographic Details
Published in:	AIP advances 2016-08, Vol.6 (8), p.085308-085308-6
Main Authors:	Freitas, F. L., Marques, M., Teles, L. K.
Format:	Article
Language:	eng
Subjects:	ALUMINIUM COMPOUNDS APPROXIMATIONS Band gap Bowing CARRIERS COMPARATIVE EVALUATIONS COMPUTERIZED SIMULATION CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY CRYSTAL STRUCTURE CURRENTS Energy gap EXCITATION First principles GALLIUM COMPOUNDS INDIUM COMPOUNDS NITROGEN COMPOUNDS PHOTOLUMINESCENCE QUATERNARY ALLOY SYSTEMS SEMICONDUCTOR MATERIALS
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Summary:	We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal Al x Ga y In1–x–y N semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.
ISSN:	2158-3226 2158-3226