On the influence of lattice vibrations on the chemisorption energy

Abstract

The influences of temperature, via lattice vibrations, on the chemisorption energy of a single chemisorbed atom on a surface and the indirect interaction energy of two adatoms have been studied. A model system for the chemisorbed atom on the surface, whose Hamiltonian is similar to that for the Anderson's Hartree-Fock treatment of localized magnetic states in dilute alloys, is adopted for our study. Expressions, from which we can calculate these energies at different temperatures, are derived by employing the double-time Green function method. We find in general, the effect of temperature shifts as well as broadens the chemisorption energy levels.