Enviar artigo por via de e-mail Effect of the off-Diagonal d–d Electron Overlappings on the Effective Pair Interaction in the Equiatomic Cu–Ag Melt
- Autores: Dubinin N.E.1,2
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Afiliações:
- Institute of Metallurgy, Ural Branch, Russian Academy of Sciences
- Ural Federal University named after the first President of Russia B.N. Yeltsin
- Edição: Volume 2019, Nº 8 (2019)
- Páginas: 816-819
- Seção: Article
- URL: https://journal-vniispk.ru/0036-0295/article/view/173423
- DOI: https://doi.org/10.1134/S0036029519080056
- ID: 173423
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Resumo
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.
Sobre autores
N. Dubinin
Institute of Metallurgy, Ural Branch, Russian Academy of Sciences; Ural Federal University named after the first President of Russia B.N. Yeltsin
Autor responsável pela correspondência
Email: ned67@mail.ru
Rússia, Yekaterinburg; Yekaterinburg
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