Some simple theorems concerning crystal lattice sums of electric potential, electric field, and electric field gradient in crystals

Abstract

The conditions under which direct lattice sums of electric potential, field, and field gradient converge are discussed. The analogous conditions under which differences in these lattice sums, for two points in the crystal, converge are also outlined. These conditions are applied to direct lattice sum calculations in crystals in which the ideal lattice is distorted close to a defect of some kind. The conver- gence conditions are then applied to the case of determining the direct lattice sums in crystals in which higher symmetry properties can be invoked, which leads to a knowledge by inspection of the lattice sum at one point in the unit cell.