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Evaluation of the many-body contributions to the interionic interactions in MgO

Abstract:

The predictions of an "extended" ionic interaction model for the phonons and other properties of crystalline MgO are considered. In the extended model, the polarization interactions resulting from the dipoles and quadrupoles induced on the oxide ions by both Coulombic and short-range interactions with other ions are explicitly represented. Furthermore, the shapes of the oxide ions, as perceived through the short-range repulsive interactions with their immediate neighbors, are allowed to respo...

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Publication status:
Published

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Publisher copy:
10.1063/1.476481

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
108
Issue:
24
Pages:
10209-10219
Publication date:
1998-06-22
DOI:
ISSN:
0021-9606
Source identifiers:
60168
Language:
English
Pubs id:
pubs:60168
UUID:
uuid:c93b38e1-b2fe-4c0f-bcc3-0c83103ef1b5
Local pid:
pubs:60168
Deposit date:
2012-12-19

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