Interatomic Pair Interaction in Liquid Transition Metals

• Authors: N. Dubinin
• Languages of publication: EN

Abstracts

EN

The Wills-Harrison pair interaction is investigated for liquid Fe on the base of the introduced relation between parameters of the model pseudopotential and d-electron characteristics. It is shown that the procedure suggested leads to the significant shift of the first minimum of the pair potential and increases the softness of its repulsive part.

Keywords

EN

61.25.Mv; 71.15.Dx; 71.20.Be

Discipline

• 71.20.Be: Transition metals and alloys
• 61.25.Mv: Liquid metals and alloys
• 71.15.Dx: Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 115
• Issue: 4
• Pages: 783-785

Dates

published

2009-04

Contributors

author

N. Dubinin

• Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, Amundsen st. 101, 620016 Ekaterinburg, Russia

References

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Identifiers

DOI

10.12693/APhysPolA.115.783