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Journal article

Calculated surface-energy anomaly in the 3d metals

By Aldén, M.; Skriver, Hans Lomholt1,2; Mirbt, S.; Johansson, B.

From

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

Department of Physics, Technical University of Denmark2

Local-spin-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization.

Language: English
Year: 1992
Pages: 2296-2298
ISSN: 10797114 and 00319007
Types: Journal article
DOI: 10.1103/PhysRevLett.69.2296
Keywords

DENSITY MAGNETISM NI

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