Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy

被引：39

作者：

Shin, D. ^{[1
]}

Foord, J. S. ^{[1
]}

Payne, D. J. ^{[1
]}

Arnold, T. ^{[1
]}

Aston, D. J. ^{[1
]}

Egdell, R. G. ^{[1
]}

Godinho, K. G. ^{[2
]}

Scanlon, D. O. ^{[2
]}

Morgan, B. J. ^{[2
]}

Watson, G. W. ^{[2
]}

Mugnier, E. ^{[3
]}

Yaicle, C. ^{[3
]}

Rougier, A. ^{[3
]}

Colakerol, L. ^{[4
]}

Glans, P. A. ^{[4
]}

Piper, L. F. J. ^{[4
]}

Smith, K. E. ^{[4
]}

机构：

[1] Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England

[2] Trinity Coll Dublin, Sch Chem, Dublin 2, Ireland

[3] Univ Picardie Jules Verne, CNRS, UMR 6007, Lab React & Chim Solides, F-80039 Amiens, France

[4] Boston Univ, Dept Phys, Boston, MA 02215 USA

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 23期

基金：

爱尔兰科学基金会; 英国工程与自然科学研究理事会;

关键词：

copper compounds; valence bands; X-ray emission spectra; THIN-FILMS; ELECTRICAL-CONDUCTION; ELECTRONIC-STRUCTURE; CHROMIUM(III) OXIDE; CRYSTAL-STRUCTURE; TRANSPARENT; CUINO2; FABRICATION;

D O I：

10.1103/PhysRevB.80.233105

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The widths of the valence bands in the copper (I) delafossites CuGaO2, CuInO2, and CuScO2 have been measured by O K-shell x-ray emission spectroscopy and are compared with previous experimental work on CuAlO2 and CuCrO2. In agreement with recent density-functional theory calculations it is found that the bandwidth decreases in the series CuAlO2>CuGaO2>CuInO2>CuScO2. It is shown that states at the top of the valence band are of dominant Cu 3d(z)(2) atomic character but with significant mixing with O 2p states.

引用

页数：4

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