Ab initio work function of elemental metals

Hans Lomholt Skriver, N. M. Rosengaard

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Abstract

We have used a recently developed self-consistent Green’s-function technique based on tight-binding linear-muffin-tin-orbital theory to calculate the work function for the close-packed surfaces of 37 elemental metals. The results agree with the limited experimental data obtained from single crystals to within 15%, and they explain the smooth behavior of the polycrystalline data as a function of atomic number.
Original languageEnglish
JournalPhysical Review B
Volume45
Issue number16
Pages (from-to)9410-9412
ISSN2469-9950
DOIs
Publication statusPublished - 1992

Bibliographical note

Copyright (1992) by the American Physical Society.

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