Calculated surface-energy anomaly in the 3d metals

M. Aldén; Hans Lomholt Skriver; S. Mirbt; B. Johansson

doi:10.1103/PhysRevLett.69.2296

Calculated surface-energy anomaly in the 3d metals

M. Aldén, Hans Lomholt Skriver, S. Mirbt, B. Johansson

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Abstract

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.

Original language	English
Journal	Physical Review Letters
Volume	69
Issue number	15
Pages (from-to)	2296-2298
ISSN	0031-9007
DOIs	https://doi.org/10.1103/PhysRevLett.69.2296
Publication status	Published - 1992

Bibliographical note

Copyright (1992) by the American Physical Society.

Keywords

MAGNETISM
NI
DENSITY

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http://link.aps.org/doi/10.1103/PhysRevLett.69.2296

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abstract = "Local-spin-density theory and a Green{\textquoteright}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.",

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AU - Aldén, M.

AU - Skriver, Hans Lomholt

AU - Mirbt, S.

AU - Johansson, B.

PY - 1992

Y1 - 1992

N2 - 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.

AB - 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.

KW - MAGNETISM

KW - NI

KW - DENSITY

U2 - 10.1103/PhysRevLett.69.2296

DO - 10.1103/PhysRevLett.69.2296

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SP - 2296

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JO - Physical Review Letters

JF - Physical Review Letters

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Calculated surface-energy anomaly in the 3d metals

Abstract

Bibliographical note

Keywords

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