Computation of phonon dynamics of Mg70Zn30 metallic glass

In the present paper, the computation of the phonon dynamics of binary Mg70Zn30 metallic glass is reported using the well-recognized model potential of Gajjar et al. The present study includes the phonon dispersion curves (PDC), elastic and thermodynamic properties such as longitudinal sound velocity tL, transverse sound velocity tT, Debye temperature hD, isothermal bulk modulus BT, modulus of rigidity G, Poisson’s ratio r and Young’s modulus Y and specific heat capacity CV of the glass. Three theoretical models given by Hubbard–Beeby (HB), Takeno–Goda (TG) and Bhatia–Singh (BS) are used to compute the PDC. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru–Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are employed for the first time to study the effect of exchange and correlation in the aforesaid properties. The pseudo-alloy-atom (PAA) model is applied for the first time instead of Vegard’s Law.