Abstract

A simple formula is derived for the calculation of the electrostatic potential of an ion near the (100) surface of a KCl crystal using a lattice sum method. The potential is found to be short ranged, tending to zero far from the surface. The potential is identical to that obtained from the solution of the Poisson equation. Although rapid convergence is achieved in the present method, it is still many times slower than the expression derived from the Poisson equation. At an adsorption site, the electrostatic potential was found to be 0.3 eV. To get the right result from a direct version of the lattice sum, 104 terms must be taken.

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