期刊
APPLIED PHYSICS LETTERS
卷 96, 期 2, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.3291055
关键词
density functional theory; energy gap; exchange interactions (electron); gallium compounds; indium compounds; valence bands
资金
- American Chemical Society Petroleum Research Fund
- CNSI, Teragrid [DMR070072N]
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%.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据