Vibrational dynamics of Fe-based glassy alloys

Abstract

The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz. Fe₉₀Zr₁₀, Fe₈₀B₂₀, Fe₈₃B₁₇ and Fe₈₀P₂₀. The thermodynamic and elastic properties are also computed from the elastic limits of the phonon dispersion curves (PDC). Three theoretical approaches given by Hubbard-Beeby (HB), Takeno-Goda (TG) and Bhatia-Singh (BS) are used in the present study to compute the PDC. Six local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) and Sarkar et al.’s local field factor (SLFF) based excgange and correlation function are employed to see the effect of exchange and correlation in the aforesaid properties.

Keywords

pseudopotential / pair potential / phonon dispersion curves (PDC) / Fe-based binary glassy alloys / static properties / vibrational properties

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