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Face dependent surface energies of simple metals

Using a simple ansatz for the inhomogeneous screened linear electron gas susceptibility, we obtain the face dependent surfaces energies, σ, of the simple metals, through second order. In contrast to results of the first-order Lang-Kohn method and the one-dimensional variational values of Monnier and...

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Published in:Solid state communications 1981, Vol.37 (2), p.91-96
Main Authors: Rose, J.H., Dobson, J.F.
Format: Article
Language:English
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description Using a simple ansatz for the inhomogeneous screened linear electron gas susceptibility, we obtain the face dependent surfaces energies, σ, of the simple metals, through second order. In contrast to results of the first-order Lang-Kohn method and the one-dimensional variational values of Monnier and Perdew, we obtain weakly face dependent σ values consistent with experiment. Our results hinge on two previously neglected considerations: (i) ion induced inhomogeneity of the bulk electron density prior to cleavage and (ii) ion induced electron density inhomogeneity in the surface region after cleavage.
doi_str_mv 10.1016/0038-1098(81)90719-5
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title Face dependent surface energies of simple metals
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