Native point defects and dangling bonds in α-Al2O3

被引：213

作者：

Choi, Minseok ^{[1
]}

Janotti, Anderson ^{[1
]}

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

机构：

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

来源：

JOURNAL OF APPLIED PHYSICS | 2013年 / 113卷 / 04期

基金：

美国国家科学基金会;

关键词：

AL2O3;

D O I：

10.1063/1.4784114

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We performed hybrid functional calculations of native point defects and dangling bonds (DBs) in alpha-Al2O3 to aid in the identification of charge-trap and fixed-charge centers in Al2O3/III-V metaloxide-semiconductor structures. We find that Al vacancies (V-Al) are deep acceptors with transition levels less than 2.6 eV above the valence band, whereas Al interstitials (Al-i) are deep donors with transition levels within similar to 2 eV of the conduction band. Oxygen vacancies (V-O) introduce donor levels near midgap and an acceptor level at similar to 1 eV below the conduction band, while oxygen interstitials (O-i) are deep acceptors, with a transition level near the mid gap. Taking into account the band offset between alpha-Al2O3 and III-V semiconductors, our results indicate that V-O and Al DBs act as charge traps (possibly causing carrier leakage), while V-Al, Al-i, O-i, and O DBs act as fixed-charge centers in alpha-Al2O3/III-V metal-oxide-semiconductor structures. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4784114]

引用

页数：5

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