Valence band structure of BaCuSF and BaCuSeF

被引：31
作者：
Yanagi, Hiroshi
Tate, Janet
Park, Sangmoon
Park, Cheol-Hee
Keszler, Douglas A.
Hirano, Masahiro
Hosono, Hideo
机构：
[1] Tokyo Inst Technol, Frontier Collaborat Res Ctr, ERATO SORST JST, Midori Ku, Yokohama, Kanagawa 2268503, Japan
[2] Oregon State Univ, Dept Phys, Corvallis, OR 97331 USA
[3] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA
来源：
JOURNAL OF APPLIED PHYSICS | 2006年 / 100卷 / 08期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1063/1.2358828
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The origin of high hole conduction in BaCuQF (Q=S,Se) was investigated by photoemission measurements and full-potential linearized augmented plane wave band-structure calculations. In both compounds, the large dispersion near the top of the valence band is realized by admixed states of Cu 3d and S 3p or Se 4p orbitals, indicating that high hole mobility is possible. In addition, the valence band maxima of BaCuQF are much closer to the vacuum level than most p-type transparent oxides, which leads to high hole stability in the valence band. The high hole mobility and stability in BaCuQF relative to most oxides afford a significantly larger p-type conductivity.
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页数：5
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