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Environmental effects on anion polarizability: Variation with lattice parameter and coordination number

Abstract:

The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of lattice parameters, R, are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr, KCl, and MgO. The derivatives of the mean polarizability with respect to lattice parameters are compared with experimental values obtained from the variation of the refractive index with pressure. The environmental effects on the polarizability of an anion may be viewed as the consequence of imposition of a conf...

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Publication status:
Published

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Publisher copy:
10.1021/jp982029j

Authors


Fowler, PW More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Madden, PA More by this author
Journal:
JOURNAL OF PHYSICAL CHEMISTRY A
Volume:
102
Issue:
43
Pages:
8377-8385
Publication date:
1998-10-22
DOI:
EISSN:
1520-5215
ISSN:
1089-5639
URN:
uuid:3a591eb5-6ccf-429b-823e-01c711af40f4
Source identifiers:
60165
Local pid:
pubs:60165
Language:
English

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