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On the compressed-ion model of cohesion in alkali halides

Baroni, S.
•
Baldereschi, A.
1985
  • journal article

Periodico
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
Abstract
First-principle local-density calculations of the total energy of ions confined within a sphere were performed The results for positive alkali and negative halogen ions are used to test the validity of the compressed-ion model for the cohesion of alkali halides recently proposed by Narayan and Ramaseshan It was found that the model is not realistic since the calculated ionic compression energies are by far too large to account for the observed equilibrium lattice constants and bulk moduli of alkali halides.
DOI
10.1016/0022-3697(85)90155-6
WOS
WOS:A1985AJW4000004
Archivio
http://hdl.handle.net/20.500.11767/12031
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-0021787253
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metadata only access
Soggetti
  • Settore FIS/03 - Fisi...

Scopus© citazioni
7
Data di acquisizione
Jun 2, 2022
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Data di acquisizione
Apr 19, 2024
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