Kurbatsky V. Theoretical study on energetic and force characteristics of finite metal systems: the work function and the surface stress.

An object of the investigation: surface of semi-infinite metal, metallic samples of finite dimensions and low-dimensional metal systems. An aim: determination of the dependence of energetic and force characteristics of the low-dimensional metal systems on dimensions and shape of the surface and, in particular, study of the quantum-size effects in the subatomic metal structures. Methods: the electron density functional method of two kinds - the Kohn-Sham theory and the variational method; the analytical method of expansion in terms of a small parameter. Main results: the problem is solved to explain the influence of deformation on the surface properties of finite metallic crystals, and size dependences of the surface energy, stress and of the work function were calculated for Al, Ni, Cu, Au and Ti; an analytical theory of energetic and force characteristics of a subatomic metallic film was developed; size dependences of energetic and force characteristics of a thin metallic wire, isolated and in a contact with electrodes, were calculated; the Maxwell-Garnett theory of infrared absorption of small metal particles was modified, and calculations of the absorption factor were performed.