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
Full Text PDF
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