Electronic structure of p-type conducting transparent oxides

被引：115
作者：
Robertson, J [1 ]
Peacock, PW
Towler, MD
Needs, R
机构：
[1] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England
[2] Univ Cambridge, Dept Phys, Cambridge CB3 0HE, England
来源：
THIN SOLID FILMS | 2002年 / 411卷 / 01期
关键词：
transparent conducting oxides; photoemission; pseudopotential; band gap; delafossite;
D O I：
10.1016/S0040-6090(02)00195-5
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The band structure of p-type transparent conducting oxides CuAlO2, CuGaO2, CuInO2 and SrCu2O2 have been calculated by the pseudopotential method within the local density formalism. The band gaps have been found using the B3LYP functional. The minimum indirect gap of CuXO2 decreases along the series X=Al to In, and the valence band maximum is always at the zone boundary. The band maxima of SrCu2O2 are both at Gamma. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：96 / 100
页数：5
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