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journal article·2015-09-01Open access

Method for estimating ionicities of oxides using O1s photoelectron spectra

L. Q. Wu, Y. C. Li, S. Q. Li, Z. Z. Li, G. D. Tang, W. H. Qi, L. C. Xue, X. S. Ge, L. L. Ding

AIP Advances· Volume 5· Issue 9
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Source abstract

Abstract

The average valence, ValO, of the oxygen anions in the perovskite oxide BaTiO3, was found using O1s photoelectron spectra to be −1.55. This experimental result is close to the theoretical value for BaTiO3 (−1.63) calculated by Cohen [Nature 358, 136 (1992)] using density functional theory. Using the same approach, we obtained values of ValO for several monoxides, and investigated the dependence of ValO and the ionicity on the second ionization energy, V(M2+), of the metal cation. We found that the dependence of the ionicity on V(M2+) 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.
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Research context

Electronic materials

OpenAlex topics: Electronic and Structural Properties of Oxides · Transition Metal Oxide Nanomaterials · Electron and X-Ray Spectroscopy Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Hebei Normal University 1 Hebei Advanced Thin Film Laboratory, Department of Physics, , Shijiazhuang City, 050024, People’s Republic of China

No.46 Research Institute of China Electronics Technology Group Corporation 2 , Tianjin, 300220, People’s Republic of China

Hebei University of Science and Technology 3 School of Sciences, , Shijiazhuang City, 050018, People’s Republic of China

Funding

Key item Science Foundation of Hebei Province · Young Scholar Science Foundation of the Education Department of Hebei Province · National Natural Science Foundation of China · Natural Science Foundation of Hebei Province

References (20)

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