Back to Search Start Over

Finite size corrections to Madelung number

Authors :
Wilson, J. W
Heinbockel, J. H
Outlaw, R. A
Source :
Journal of Chemical Physics. 84
Publication Year :
1986
Publisher :
United States: NASA Center for Aerospace Information (CASI), 1986.

Abstract

It is customary in the study of ionic crystals to assume that the ions are point charges at their respective lattice sites; the corresponding electrostatic energy of one such ion is reducible to Madelung's form, where the Madelung number has a value of 1.7467. This paper considers the modifications in the electrostatic energy when the atomic finite size is treated in more detail. The results are tabulated as a direct correction to Madelung's number for alkali halide cubic crystals.

Subjects

Subjects :
Atomic And Molecular Physics

Details

Language :
English
ISSN :
00219606
Volume :
84
Database :
NASA Technical Reports
Journal :
Journal of Chemical Physics
Notes :
NAG1-148
Publication Type :
Report
Accession number :
edsnas.19860034655
Document Type :
Report
Full Text :
https://doi.org/10.1063/1.450129