期刊
JOURNAL OF MATERIALS SCIENCE
卷 45, 期 18, 页码 5071-5076出版社
SPRINGER
DOI: 10.1007/s10853-010-4419-2
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资金
- DID (UACH) [S-2008-42, SR-2008-0, S-2008-51]
- PIA (CONICYT) [ACI-52, ACT/ADI-24]
- FONDECYT [11070115, 11080259]
We show the importance of considering the detailed local distributions of oxygen atoms around tellurium in CdTeO (x) glasses when interpreting X-ray photoemission experiments. We perform first principles calculations of core-level shifts that are used to compute X-ray photo-electron spectra. The core-level shifts are investigated by means of atomic density of states and a structural Voronoi analysis. We find that the dominating effect on the atomic core-level shift of tellurium is charge redistribution due to the oxygen atoms. There is however also a prominent effect from the geometrical arrangement of the oxygen neighbors.
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