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Calculated surface-energy anomaly in the 3d metals

American Physical Society
Publication Date
  • Magnetism
  • Ni
  • Density


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.

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