Effect of the off-Diagonal dd Electron Overlappings on the Effective Pair Interaction in the Equiatomic Cu–Ag Melt


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Аннотация

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.

Авторлар туралы

N. Dubinin

Institute of Metallurgy, Ural Branch, Russian Academy of Sciences; Ural Federal University named after the first President of Russia B.N. Yeltsin

Хат алмасуға жауапты Автор.
Email: ned67@mail.ru
Ресей, Yekaterinburg; Yekaterinburg

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