Alkali metal oxides: Occupied, unoccupied and excited states
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The occupied and unoccupied electronic states of NaO2 and KO2 have been investigated by UV photoemission spectroscopy and inverse photoemission spectroscopy, respectively. In addition single electron excitations from occupied into empty levels have been probed by x-ray absorption and electron energy loss spectroscopy. The experimental data are augmented by LCGTO-Xα model cluster calculations. A detailed assignment of initial and final states is given. The excitation cross sections and an inversion of the ligand field induced3d level splitting in NaO2 are discussed.
PACS73.60Hy 71.70Ch 79.60Eq 78.70Dm
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