INTERACTION POTENTIALS FOR A LITHIUM ATOM CHEMISORBED ON A LIF(001) SURFACE

A method of calculating the interaction potential for the Li/LiF(001) system is employed. The theoretical model is based on an additive pair wise potential with adjustable semiempirical parameters. Since the ele ctronic excitation of Li(2S) to Li(2P) adsorbed on a surface is an imp ortant issue of the electronic adsorption/desorption event, the potent ial energy is evaluated in both ground and excited electronic states o f the Li atom. The potential well depth and equilibrium height are als o investigated by applying an empirical formula and geometric testing from the sizes of atomic (ionic) radii.