Surface Anharmonicity and Size Effects of Linear Chains and Surface Thermal Expansion of Cubic Metal Crystal Slabs.

Physical properties of finite crystals, resulting from the presence of boundaries (surfaces) are evaluated and discussed. A simple approximation for the effect of electron redistribution at the surface is incorporated into the calculation of the relaxation and the thermal expansion at the surfaces of cubic fcc and bcc Fe and Cu crystal slabs. This approximation to the redistribution of the electron at the surface of metal crystals gives rise to an initial inward force on the surface ions.