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Global expression for representing cohesive-energy curves. IISchlosser et al. (1991) showed that the R dependence of the cohesive energy of partially ionic solids may be characterized by a two-term energy relationship consisting of a Coulomb term arising from the charge transfer, delta-Z, and a scaled universal energy function, E*(a *), which accounts for the partially covalent character of the bond and for repulsion between the atomic cores for small R; a* is a scaled length. In the paper by Schlosser et al., the normalized cohesive-energy curves of NaCl-structure alkali-halide crystals were generated with this expression. In this paper we generate the cohesive-energy curves of several families of partially ionic solids with different crystal structures and differing degrees of ionicity. These include the CsCl-structure Cs halides, and the Tl and Ag halides, which have weaker ionic bonding than the alkali halides, and which have the CsCl and NaCl structures, respectively. The cohesive-energy-curve parameters are then used to generate theoretical isothermal compression curves for the Li, Na, K, Cs, and Ag halides. We find good agreement with the available experimental compression data.
Document ID
19930060992
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Schlosser, Herbert
(Cleveland State Univ. OH, United States)
Ferrante, John
(NASA Lewis Research Center Cleveland, OH, United States)
Date Acquired
August 16, 2013
Publication Date
January 1, 1993
Publication Information
Publication: Physical Review B - Condensed Matter, 3rd Series
Volume: 47
Issue: 2
ISSN: 0163-1829
Subject Category
Atomic And Molecular Physics
Accession Number
93A44989
Distribution Limits
Public
Copyright
Other

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