Method for estimating ionicities of oxides using O1s photoelectron spectra
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...
Main Authors: | , , , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
AIP Publishing LLC
2015-09-01
|
Series: | AIP Advances |
Online Access: | http://dx.doi.org/10.1063/1.4931996 |