Vibrational dynamics of Fe-based glassy alloys

doi:10.1007/s11458-011-0236-7

Front Chem Chin

2011, Vol. 6

Issue (2) : 127-141 https://doi.org/10.1007/s11458-011-0236-7

RESEARCH ARTICLE

Vibrational dynamics of Fe-based glassy alloys

Aditya M. VORA(

)

Humanities and Social Science Department, STBS College of Diploma Engineering, Surat 395006, India

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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

Corresponding Author(s): VORA Aditya M.,Email:voraam@yahoo.com

Issue Date: 05 June 2011

Cite this article:

Aditya M. VORA. Vibrational dynamics of Fe-based glassy alloys[J]. Front Chem Chin, 2011, 6(2): 127-141.

URL:

https://academic.hep.com.cn/fcc/EN/10.1007/s11458-011-0236-7
https://academic.hep.com.cn/fcc/EN/Y2011/V6/I2/127

Tab.1 Input parameters and other constants.

Fig.1 Pair potentials for (a) FeZr, (b) FeB, (c) FeB and (d) FeP metallic glasses

Fig.2 Pair potentials for Fe-based metallic glasses using SLFF-local field correction function

Fig.3 Screening dependence of the phonon dispersion curves for FeZr metallic glasses using HB approach

Fig.4 Screening dependence of the phonon dispersion curves for FeB metallic glasses using HB approach

Fig.5 Screening dependence of the phonon dispersion curves for FeB metallic glasses using HB approach

Fig.6 Screening dependence of the phonon dispersion curves for FeP metallic glasses using HB approach

Fig.7 Phonon dispersion curves for (a) FeZr, (b) FeB, (c) FeB and (d) FeP metallic glasses using HB, TG and BS approaches with S-local field correction function

Fig.8 Phonon dispersion curves for (a) FeZr, (b) FeB, (c) FeB and (d) FeP metallic glasses using HB, TG and BS approaches with SLFF-local field correction function

Fig.9 Screening dependence of the low temperature specific heat for FeZr metallic glasses computed from HB, TG and BS approaches

Fig.10 Screening dependence of the low temperature specific heat for FeB metallic glasses computed from HB, TG and BS approaches

Fig.11 Screening dependence of the low temperature specific heat for FeB metallic glasses computed from HB, TG and BS approaches

Fig.12 Screening dependence of the low temperature specific heat for FeP metallic glasses computed from HB, TG and BS approaches

Tab.2 Thermodynamic and elastic properties of FeZrglass

Tab.3 Thermodynamic and elastic properties of FeB glass

Tab.4 Thermodynamic and elastic properties of FeB glass

Tab.5 Thermodynamic and elastic properties of Fe P glass

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