Издательство СО РАН

Издательство СО РАН

Адрес Издательства СО РАН: Россия, 630090, а/я 187
Новосибирск, Морской пр., 2

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Поиск по журналу

Журнал структурной химии

2009 год, номер 2

VIBRATIONAL DYNAMICS OF Co67Zr33 SEMICONDUCTOR GLASSY ALLOY

A.M. Vora
voraam@yahoo.com
Ключевые слова: Co, Zr, pair potential, semiconductor glassy alloy, phonon dispersion curves (PDC), thermodynamic properties, elastic properties
Страницы: 235-242

Аннотация

The computation of vibrational dynamics of semiconductor Co67Zr33 glassy alloy has been reported for the first time that uses a different theoretical model potential formalism with Wills-Harrison (WH) form. Various local field correction functions are used to study the screening influence. The thermodynamic and elastic properties are also estimated from the elastic limits of the phonon dispersion curves (PDC). The dispersion frequency with respect to the wavenumber is found to be influenced by the dielectric screening due to the conduction electrons. Values obtained using the S-local field correction function and BS approach tend to be greater than other values calculated.