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Vibrational dynamics of Fe-based glassy alloys

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摘要 The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz.Fe_(90)Zr_(10),Fe_(80)B_(20),Fe_(83)B_(17) and Fe_(80)P_(20).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.
作者 Aditya M.VORA
出处 《Frontiers of Chemistry in China》 2011年第2期127-141,共15页 中国化学前沿(英文版)
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