Method for estimating ionicities of oxides using O1s photoelectron spectra
- Hebei Advanced Thin Film Laboratory, Department of Physics, Hebei Normal University, Shijiazhuang City, 050024 (China)
- No.46 Research Institute of China Electronics Technology Group Corporation, Tianjin, 300220 (China)
The average valence, V{sub alO}, of the oxygen anions in the perovskite oxide BaTiO{sub 3}, was found using O1s photoelectron spectra to be −1.55. This experimental result is close to the theoretical value for BaTiO{sub 3} (−1.63) calculated by Cohen [Nature 358, 136 (1992)] using density functional theory. Using the same approach, we obtained values of V{sub alO} for several monoxides, and investigated the dependence of V{sub alO} and the ionicity on the second ionization energy, V(M{sup 2+}), of the metal cation. We found that the dependence of the ionicity on V(M{sup 2+}) in this work is close to that reported by Phillips [Rev. Mod. Phys. 42, 317 (1970)]. We therefore suggest that O1s photoelectron spectrum measurements should be accepted as a general experimental method for estimating the ionicity and average valence of oxygen anions.
- OSTI ID:
- 22492379
- Journal Information:
- AIP Advances, Journal Name: AIP Advances Journal Issue: 9 Vol. 5; ISSN AAIDBI; ISSN 2158-3226
- Country of Publication:
- United States
- Language:
- English
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