DENSITY-FUNCTIONAL THEORY OF ELASTICALLY DEFORMED FINITE METALLIC SYSTEM: WORK FUNCTION AND SURFACE STRESS
Pogosov V.V., Kurbatsky V.P.

Received: August 3, 2000

PACS: 68.35.Md, 36.40.-c

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We study the external strain effect on surface properties of simple metals within the modified stabilized jellium model. We derive the equations for the stabilization energy of the deformed Wigner-Seitz cells considered as a function of the bulk electron density and the given deformation. The results for the surface stress and the work function of aluminium calculated within the self-consistent Kohn-Sham method are also given. The problem of anisotropy of the work function of a finite system is discussed. A clear explanation of independent experiments on the stress-induced contact potential difference at metal surfaces is presented.