Electronic structure and x-ray spectra of defect oxides LixCoO2
Electronic structure and x-ray spectra of defect oxides LixCoO2
Galakhov, V. R.; Ovechkina, N. A.; Shkvarin, A. S.; Shamin, S. N.; Kurmaev, E. Z.; Kuepper, K.; Takács, A. F.; Raekers, M.; Robin, S.; Neumann, M.; Gavrila, G.-N.; Semenova, A. S.; Kellerman, D. G.; Käämbre, T.; Nordgren, J.
X-ray absorption, resonant x-ray emission, and x-ray photoelectron spectra of the valence band
and core levels have been measured for LixCoO2 (0.6 < x < 1.0). Resonant O K x-ray emission
spectra of LiCoO2 showed localized excitonic states due to a dd transition between unoccupied and
occupied Co 3d states. On the base of measurements of Co 3s x-ray photoelectron and Co 2p and
O 1s x-ray absorption spectra it was established that in defective cobaltites the electronic holes are
localized mainly in O 2p states. Metallic character of conductivity of defective cobaltites LixCoO2 is
confirmed by a combination of x-ray photoelectron and O 1s x-ray absorption spectra. An evidence
of phase separation in LixCoO2 has been found.
Keywords: PACS numbers: 79.60.-i; 78.70.Dm; 78.70.En; 71.28.+d
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Physical Review B 74(2006)4, 045120
DOI: 10.1103/PhysRevB.74.045120
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