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

doi:10.1063/1.4931996

journal article Open Access Sep 01, 2015

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 Vol. 5 No. 9 · AIP Publishing

View at Publisher Save 10.1063/1.4931996

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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Details

Published: Sep 01, 2015
Vol/Issue: 5(9)
License: View

Authors

L

L. Q. Wu

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

Y

Y. C. Li

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

S

S. Q. Li

Hebei Normal University 1 Hebei Advanced Thin Film Laboratory, Department of Physics, , Shijiazhuang City, 050024, People’s Republic of China; Hebei University of Science and Technology 3 School of Sciences, , Shijiazhuang City, 050018, People’s Republic of China

Z

Z. Z. Li

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

G

G. D. Tang

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

W

W. H. Qi

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

L

L. C. Xue

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

X

X. S. Ge

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

L

L. L. Ding

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

Funding

National Natural Science Foundation of China Award: NSF-11174069

Natural Science Foundation of Hebei Province Award: A2015205111

Key item Science Foundation of Hebei Province Award: 10965125D

Young Scholar Science Foundation of the Education Department of Hebei Province Award: QN20131008

Cite This Article

L. Q. Wu, Y. C. Li, S. Q. Li, et al. (2015). Method for estimating ionicities of oxides using O1s photoelectron spectra. AIP Advances, 5(9). https://doi.org/10.1063/1.4931996

Method for estimating ionicities of oxides using O1s photoelectron spectra

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