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 domi...

Full description

Saved in:
Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2009-02, Vol.79
Main Authors: Arnold, T., Payne, D, Bourlange, A, Hu, J, Egdell, R, Piper, L, Colakerol, L, DeMasi, A, Glans, P, et. al
Format: Article
Language:English
Subjects:
ABSORPTION
COULOMB FIELD
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
EMISSION
EXPERIMENTAL DATA
FERMI LEVEL
HYBRIDIZATION
LEVELS
LIGANDS
MATERIALS SCIENCE
national synchrotron light source
OXIDES
PHOTOEMISSION
SCATTERING
VALENCE
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.79.075102