Aldén, M.3; Skriver, Hans Lomholt2; Mirbt, S.3; Johansson, B.3
1 Theoretical Atomic-scale Physics, Department of Physics, Technical University of Denmark2 Department of Physics, Technical University of Denmark3 unknown
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.
Physical Review Letters, 1992, Vol 69, Issue 15, p. 2296-2298