Interatomic Pair Interaction in Liquid Transition Metals |
N.E. Dubinin
Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, Amundsen st. 101, 620016 Ekaterinburg, Russia |
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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. |
DOI: 10.12693/APhysPolA.115.783 PACS numbers: 61.25.Mv, 71.15.Dx, 71.20.Be |