Band bowing and band alignment in InGaN alloys

被引：327

作者：

Moses, Poul Georg ^{[1
]}

Van de Walle, Chris G. ^{[1
]}

机构：

[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

来源：

APPLIED PHYSICS LETTERS | 2010年 / 96卷 / 02期

关键词：

density functional theory; energy gap; exchange interactions (electron); gallium compounds; indium compounds; valence bands; GAP; INXGA1-XN; PARAMETERS; OFFSETS;

D O I：

10.1063/1.3291055

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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%.

引用

页数：3

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