ON A QUASI-CLASSICAL THEORY OF ATOMIC PROPERTIES OF SOLID-SURFACES

Equations derived by one of the authors in a preceding paper (Ref. 26) are used to study structural and dynamical surface properties of anharmonic crystals taking into account the first quantum corrections. Anharmonic terms up to the fifth order are included. The lattice relaxation and dynamics near the singular surfaces of a two-dimensional model with square lattice are calculated. Quantum effects on the interplanar thermal expansivity and on the mean-square displacements of atoms are discussed.