6533b829fe1ef96bd128a2c3
RESEARCH PRODUCT
Electronic structure of single-crystal rocksalt CdO studied by soft x-ray spectroscopies andab initiocalculations
Frank FuchsFriedhelm BechstedtVicente Muñoz-sanjoséAndre SchleifeLouis F. J. PiperKevin E. SmithAlex DemasiJesús Zúñiga-pérezJesús Zúñiga-pérezsubject
X-ray absorption spectroscopyMaterials scienceAbsorption spectroscopyAb initio quantum chemistry methodsAstrophysics::High Energy Astrophysical PhenomenaElectronic structureEmission spectrumPerturbation theoryAtomic physicsCondensed Matter PhysicsSingle crystalSpectral lineElectronic Optical and Magnetic Materialsdescription
Soft x-ray emission spectroscopy (XES) and x-ray absorption spectroscopy (XAS) are employed to investigate the occupied and unoccupied electronic structures in rocksalt-phase single-crystal CdO. Resonant XES at the OK edge reveals a clear Cd 4d-O 2p hybridized peak and momentum-dependent coherent contributions to the resonant emission spectra. Good agreement is obtained between the above-threshold XES and XAS spectra, and the calculated O 2p local partial density of states (PDOS). Calculation of the O 2p PDOS was performed within the GW framework of many-body perturbation theory.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2008-03-10 | Physical Review B |