Vibrational dynamics of Pd₈₀Si₂₀ glass

Abstract

The vibrational dynamics of Pdg"Si20 glass has been studied at room temperature in terms of the phonon eigenfrequencies of longitudinal and transverse modes employing the theoretical formulations of Hubbard and Beeby as well as of Takeno and Goda. The effective interatomic pair potential in this glass is obtained using tlic experimental partial pair correlation functions and the hypernetted chain (HNC) equation. Long wavelength limits of the phonon modes are then used to get information on the elastic and thermal properties of the system. It has been found that the theoretical results of these properties as computed through Hubbard and Beeby's method are in good agreement with the available experimental results.') 5-6, Vigyan Bhawan, Jaipur 302004, India.

Pseudopotential in the study of phonon dynamics of Pd-based metallic glasses

“…It is observed that well depth of presently computed pair potential moves towards the left in contrast to the results of Prasad et al [3]. The presently computed V(r) is very deep at first minima and the well width is also very wide compared to that reported by Prasad et al [3]. Pratap et al [2] and Prasad et al [3] have been calculated the pair potentials of the glassy alloys from the effective interatomic pair potential (EPP) model and effective atom model (EAM).…”

“…The first zero for V(r = r 0 ) occurs at r 0 = 2.9 a.u. It is observed that well depth of presently computed pair potential moves towards the left in contrast to the results of Prasad et al [3]. The presently computed V(r) is very deep at first minima and the well width is also very wide compared to that reported by Prasad et al [3].…”

“…The presently computed V(r) is very deep at first minima and the well width is also very wide compared to that reported by Prasad et al [3]. Pratap et al [2] and Prasad et al [3] have been calculated the pair potentials of the glassy alloys from the effective interatomic pair potential (EPP) model and effective atom model (EAM). In EPP model, the interatomic pair potentials of the metallic alloys are computed from the pair potentials of the single components of the metallic elements.…”

“…The pseudopotential theory is very much successful to study the simple metallic glasses [1], but applications to TM-based or TM-M type metallic glasses are very few [2][3][4]. This may be due to the difficulties in choicing the interatomic pair potential.…”

“…They have used effective pair potential (EPP) and effective atom model (EAM) with HB approach. The phonon dynamics of Pd 80 Si 20 glass has been studied by Prasad et al [3]. They have adopted hypernetted chain approximations to generate the partial pair potentials from experimental static structure factor with HB [6] and TG [7] approaches.…”