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- W2023142321 abstract "The electronic structure of superoxide ${text{KO}}_{2}$ was investigated by employing soft x-ray absorption spectroscopy (XAS) and core-level photoemission spectroscopy (PES). The clean and single component was observed in both the $text{O}text{ }1s$ and $text{K}text{ }2p$ core-level PES spectra of ${text{KO}}_{2}$, which confirms the good quality of the ${text{KO}}_{2}$ sample employed in this work. The measured $text{O}text{ }1s$ XAS spectrum was compared with the calculated density of states (DOSs), obtained from the first-principles electronic-structure calculations that include both the spin-orbit (SO) effect and the on-site Coulomb interaction $(U)$ between $text{O}text{ }2p$ electrons. In the $text{O}text{ }1s$ XAS, both the unoccupied $text{O}text{ }2p$ antibonding ${ensuremath{pi}}_{g}$ and ${ensuremath{sigma}}_{u}$ states are identified. It is found that the unoccupied states, observed in the $text{O}text{ }1s$ XAS, agree reasonably well with the calculated DOSs, which suggests the importance of the SO and $U$ effects for ${text{KO}}_{2}$ having the high-symmetry tetragonal structure." @default.
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- W2023142321 date "2010-11-22" @default.
- W2023142321 modified "2023-09-25" @default.
- W2023142321 title "Soft x-ray absorption and photoemission spectroscopy study of superoxide<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>KO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W2023142321 doi "https://doi.org/10.1103/physrevb.82.193102" @default.
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