Calculation of the Surface Energies of Alkali Halide Crystals

Abstract

Rapidly converging lattice sums for the electrostatic and van der Waals contributions to the surface energy of a generalized sodium chloride crystal have been derived. As special cases numerical values of these sums for the {100} and {110} faces of a NaCl‐type crystal and for the {110} face of a CsCl‐type crystal were computed. Surface energies for {100} faces of NaCl‐type alkali halides and for {110} faces of both NaCl‐and CsCl‐type alkali halides have been calculated.