Anionic dipole polarizabilities at the surfaces of alkaline earth oxides and sulfides

Dipole polarizabilities of O 2− and S 2− ions at the (001) surfaces of sulfides of rocksalt structure were calculated variationally using the Kirkwood, Pople and Schofield approach. The results including various effects such as relaxation and rumpling were compared with bulk values for alkaline eart...

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Bibliographic Details
Published in:Surface science 1988, Vol.197 (3), p.509-514
Main Authors: Yousif, S.Y., Kassim, H.A.
Format: Article
Language:English
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Summary:Dipole polarizabilities of O 2− and S 2− ions at the (001) surfaces of sulfides of rocksalt structure were calculated variationally using the Kirkwood, Pople and Schofield approach. The results including various effects such as relaxation and rumpling were compared with bulk values for alkaline earth oxides and sulfides. Differences of the order of 4% between bulk and surface polarizabilities were predicted.
ISSN:0039-6028
1879-2758
DOI:10.1016/0039-6028(88)90642-5