X-ray spectroscopic study of the electronic structure of CuCrO(2)
Arnold, T., Payne, D. J., Bourlange, A., Hu, J. P., Egdell, R. G., Piper, L. F. J., Colakerol, L., Masi, A., Glans, P. A., Learmonth, T., Smith, K. E., Guo, J., Scanlon, D. O., Walsh, A., Morgan, B. and Watson, G. W., 2009. X-ray spectroscopic study of the electronic structure of CuCrO(2). Physical Review B, 79 (7), 075102.
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The electronic structure of the p-type transparent conducting oxide CuCrO(2) 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 Cu(2)O, 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 CuCrO(2) 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 CuCrO(2) carried out using density-functional methods corrected for onsite Coulomb repulsion.
|Creators||Arnold, T., Payne, D. J., Bourlange, A., Hu, J. P., Egdell, R. G., Piper, L. F. J., Colakerol, L., Masi, A., Glans, P. A., Learmonth, T., Smith, K. E., Guo, J., Scanlon, D. O., Walsh, A., Morgan, B. and Watson, G. W.|
|Uncontrolled Keywords||magnesium,valence bands,density functional theory,delafossite structure,synchrotron-radiation,electrical-conduction,semiconductor doping,crystal-structure,fermi level,x-ray emission spectra,transparent oxides,thin-films,semiconductor materials,x-ray,pulsed-laser deposition,copper compounds,absorption spectra,x-ray photoelectron spectra,cr2o3,photoemission,optoelectronic properties|
|Departments||Faculty of Science > Chemistry|
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