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Journal article

Ab initio work function of elemental metals

From

Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark1

Department of Physics, Technical University of Denmark2

Technical University of Denmark3

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.

Language: English
Year: 1992
Pages: 9410-9412
ISSN: 1550235x , 10980121 , 24699950 , 10953795 and 01631829
Types: Journal article
DOI: 10.1103/PhysRevB.45.9410

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