| Title: | Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
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| Authors: | Shin D, Foord J.S., Payne D.J., Arnold T., Aston D.J., Egdell R.G., Godinho K.G., Scanlon D.O., Morgan B.J., Watson G.W., Mugnier E., Yaicle C., Rougier A., Colakerol L., Glans P.A., Piper L.F.J. and Smith, K.E., 2009 |
| Abstract: | The widths of the valence bands in the copper (I) delafossites CuGaO2 , CuInO2 , and CuScO2 have been measured by OK -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 Cu3dz2 atomic character but with significant mixing with O2p states. |
| ICHEC Project: | Electronic Structure Studies of Transparent Semiconductors |
| Publication: | Physical Review B, vol. 80, Issue 23 |
| URL: | http://doi.org/10.1103/PhysRevB.80.233105 |
| Keywords: | Surface states, band structure, electron density of states, Theory and modeling, X-ray emission spectra and fluorescence |
| Status: | Published |
