Calculation of the Surface Energies of Alkali Halide Crystals

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.