Density-functional theory of elastically deformed finite metallic system: work function and surface stress
classification
❄️ cond-mat.mes-hall
cond-mat.mtrl-sci
keywords
functionsurfaceworkdeformedfinitegivenstresssystem
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The effect of external strain on surface properties of simple metals is considered within the modified stabilized jellium model. The equations for the stabilization energy of the deformed Wigner-Seitz cells are derived as a function of the bulk electron density and the given deformation. The results for surface stress and work function of aluminium calculated within the self-consistent Kohn-Sham method are also given. The problem of anisotropy of the work function of finite system is discussed. A clear explanation of independent experiments on stress-induced contact potential difference at metal surfaces is presented.
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