The influence of shallow core-level hybridization on the electronic structure of the post-transition metal oxides ZnO, CdO, In 2 O 3 , and SnO 2 has been investigated using high-resolution soft x-ray emission and absorption spectroscopies. Synchrotron radiation excited O K ␣ emission spectra provide a direct measure of the O 2p partial density of states and shallow core-level hybridization for this series of transparent conducting materials and reveal significant mixing of O 2p and shallow-core metal d states for ZnO, CdO, and In 2 O 3 . The experimental data are compared with local density approximation and tight-binding band structure calculations and with previous experimental determinations of direct and indirect band gaps. Rocksalt CdO, bixbyite In 2 O 3 , and rutile SnO 2 all adopt structures with metal cations in sites with locally centrosymmetric coordination. This prevents hybridization of O 2p states with metal 4d states at the zone center, but mixing away from ⌫ leads to indirect band gaps for CdO and In 2 O 3 . A revised value for the lowest indirect band gap in CdO is proposed and the overall trends in the band gap are discussed in terms of the separation between O 2p and metal 4d states. The experimental investigation has been extended to study the effects of Sn doping in In 2 O 3 .
The orbital character, orientation, and magnetic polarization of the O-2p unoccupied states near the Fermi level (E F ) in CrO 2 was determined using polarization-dependent x-ray absorption spectroscopy and x-ray magnetic circular dichroism from high-quality, single-crystal films. A sharp peak observed just above E F is excited only by the electric-field vector (E) normal to the tetragonal c axis, characteristic of a narrow band (Ϸ0.7 eV bandwidth͒ constituted from O-2p orbitals perpendicular to c (O-2p y ) hybridized with Cr 3d xzϪyz t 2g states. By comparison with band-structure and configuration-interaction cluster calculations our results support a model of CrO 2 as a half-metallic ferromagnet with large exchange-splitting energy (⌬ exchϪsplit Ϸ3.0 eV͒ and substantial correlation effects.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.