X-ray spectroscopic study of the electronic structure of CuCrO2
Citation:Arnold T., Payne D.J., Bourlange A., Hu J.P., Egdell R.G., Piper L.F.J, Colakerol L., De Masi A.,. Glans P.A., Learmonth T., Smith, K.E. Guo J., Scanlon D.O., Walsh A., Morgan B.J. and Watson G.W., X-ray spectroscopic study of the electronic structure of CuCrO2, Physical Review B, 79, 7, 2009, 075102
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The electronic structure of the p-type transparent conducting oxide CuCrO2 has been studied by x-ray photoemission, x-ray absorption, and x-ray emission spectroscopies. The upper part of the valence band derives mainly from Cu 3d and Cr 3d states while the lower valence-band states are of dominant O 2p atomic character, but with pronounced mutual hybridization among Cu 3d, Cr 3d, and O 2p states. Site specific electronic excitations have been studied by resonant inelastic x-ray scattering at the Cu L and Cr L edges. Inelastic loss at the Cu L edge is dominated by on-site interband excitations similar to those found in Cu2O, while at the Cr L edge localized excitations arising from ligand field splitting of the Cr 3d levels are observed. Mg doping on the Cr sites in CuCrO2 is shown to lead to a pronounced shift in the Fermi level toward the edge of the valence band. The experimental data are compared to electronic structure calculations on CuCrO2 carried out using density-functional methods corrected for onsite Coulomb repulsion.
Science Foundation Ireland
Type of material:Journal Article
Series/Report no:Physical Review B
Availability:Full text available