Hydrogen doping in indium oxide: An ab initio study

被引：170

作者：

Limpijumnong, Sukit ^{[1
,2
,3
,4
]}

Reunchan, Pakpoom ^{[1
,2
,3
]}

Janotti, Anderson ^{[1
]}

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

机构：

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

[2] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand

[3] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand

[4] Thailand Ctr Excellence Phys ThEP Ctr, Commiss Higher Educ, Bangkok 10400, Thailand

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 19期

关键词：

ab initio calculations; density functional theory; electrical conductivity; hydrogen; indium compounds; interstitials; semiconductor materials; ELECTRONIC-STRUCTURE; IN2O3;

D O I：

10.1103/PhysRevB.80.193202

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles density-functional theory is employed to investigate the role of hydrogen impurities in In2O3. We find that both interstitial hydrogen (H-i) and substitutional hydrogen (H-O) act as shallow donors. Our results support recent experiments by Koida [Jpn. J. Appl. Phys. 46, L685 (2007)], which found hydrogen-doped In2O3 to be a good candidate for transparent conducting films.

引用

页数：4

共 28 条

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