Email this article Effect of the off-Diagonal d–d Electron Overlappings on the Effective Pair Interaction in the Equiatomic Cu–Ag Melt
- Authors: Dubinin N.E.1,2
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Affiliations:
- Institute of Metallurgy, Ural Branch, Russian Academy of Sciences
- Ural Federal University named after the first President of Russia B.N. Yeltsin
- Issue: Vol 2019, No 8 (2019)
- Pages: 816-819
- Section: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/173423
- DOI: https://doi.org/10.1134/S0036029519080056
- ID: 173423
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Abstract
The effect of d electron overlapping between two neighboring atoms, which is off-diagonal in magnetic quantum number, on the effective pair interaction in the equiatomic Cu–Ag melt near the melting temperature is studied within the framework of the Wills–Harrison model. An increase in the fraction of off-diagonal overlapping is shown to increase the first minimum depth and to shift its coordinate to smaller interatomic distances for all three partial pair potentials.
About the authors
N. E. Dubinin
Institute of Metallurgy, Ural Branch, Russian Academy of Sciences; Ural Federal University named after the first President of Russia B.N. Yeltsin
Author for correspondence.
Email: ned67@mail.ru
Russian Federation, Yekaterinburg; Yekaterinburg
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