Band bowing and band alignment in InGaN alloys

Moses, Poul Georg; Van de Walle, Chris G.
January 2010
Applied Physics Letters;1/11/2010, Vol. 96 Issue 2, p021908
Academic Journal
We use density functional theory calculations with the HSE06 hybrid exchange-correlation functional to investigate InGaN alloys and accurately determine band gaps and band alignments. We find a strong band-gap bowing at low In content. Band positions on an absolute energy scale are determined from surface calculations. The resulting GaN/InN valence-band offset is 0.62 eV. The dependence of InGaN valence-band alignment on In content is found to be almost linear. Based on the values of band gaps and band alignments, we conclude that InGaN fulfills the requirements for a photoelectrochemical electrode for In contents up to 50%.


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