Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
Citation:Shin, D, Foord, JS, Payne, DJ, Arnold, T, Aston, DJ, Egdell, RG, Godinho, KG, Scanlon, DO, Morgan, BJ, Watson, GW, Mugnier, E, Yaicle, C, Rougier, A, Colakerol, L, Glans, PA, Piper, LFJ, Smith, KE, Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy, PHYSICAL REVIEW B, 80, 2009, 233105
PRB_dela_80_233105.pdf (Published (publisher's copy) - Peer Reviewed) 133.9Kb
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?3dz2 atomic character but with significant mixing with O?2p states.
Science Foundation Ireland (SFI)
Type of material:Journal Article
Series/Report no:PHYSICAL REVIEW B
Availability:Full text available