The F+‐Centre in Alkali Oxides of Antifluorite Structure. a Model Potential Numerical Calculation
作者:
H. A. Kassim,
期刊:
physica status solidi (b)
(WILEY Available online 1986)
卷期:
Volume 137,
issue 1
页码: 199-206
ISSN:0370-1972
年代: 1986
DOI:10.1002/pssb.2221370122
出版商: WILEY‐VCH Verlag
数据来源: WILEY
摘要:
AbstractAbsorption energies of the F+‐centre in Li2O and other alkali‐oxides of antifluorite structure are calculated numerically using the point ion and model potentials incorporating core repulsion based on the modified Bartram, Stoneham and Gash pseudopotential as proposed by Matthew and Green. Other effects such as electronic polarization and ionic distortion are also considered. The results obtained are in good agreement with the experimentally assigned value for the band peak position and with the recent variational calculations by Ong on the same syst
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