Self-consistent theory of the surface thermodynamic properties of strongly anharmonic crystals

The nonlinear integral equations of the asymmetric self-consistent field method are applied to a semiinfinite, strongly anharmonic crystal bounded by a gaseous phase. These equations are used to obtain the self-consistent potential for crystal atoms close to the surface, and through this potential, the surface free energy is obtained. The nonlinear integral equation is reduced to a set of transcendental equations and a method is given for the solving the latter. © 1984 Plenum Publishing Corporation.