THE QUANTUM MECHANICAL CALCULATION OF THE SURFACE ENERGY OF SODIUM CHLORIDE— A FIRST APPROXIMATION

1 September 1956

journal article
Published by Canadian Science Publishing in Canadian Journal of Physics

Vol. 34 (9) , 985-992
https://doi.org/10.1139/p56-108

Abstract

Löwdin's theory for the cohesive energy of alkali halides has been used to calculate a first approximation to the surface energy of a {100} face of sodium chloride. The value found, 187 ergs/cm.², differs from the experimental value determined by measuring heats of solution (276 ergs/cm.²) but is about 18% higher than the figure obtained from a corresponding classical model. For comparison the surface energies of several other alkali halides have been computed.

Keywords

This publication has 2 references indexed in Scilit:

The heat capacity of small particles of sodium chloride
Transactions of the Faraday Society, 1956
The Surface Energies of Inert-gas and Ionic Crystals
Proceedings of the Physical Society. Section A, 1949