X-ray Spectroscopic Study of the Electronic Structure of CuCrO2
The electronic structure of the p-type transparent conducting oxide CuCrO{sub 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{sub 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{sub 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{sub 2} carried out using density-functional methods corrected for onsite Coulomb repulsion.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
- Sponsoring Organization:
- Doe - Office Of Science
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 980686
- Report Number(s):
- BNL-93604-2010-JA; TRN: US201015%%2071
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 79; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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