Electronic structure of single-crystal rocksalt CdO studied by soft x-ray spectroscopies and ab initio calculations

نویسندگان

  • L. F. J. Piper
  • Alex DeMasi
  • Kevin E. Smith
  • F. Bechstedt
  • V. Munoz-Sanjosé
چکیده

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.

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تاریخ انتشار 2008