Study of the Collective Dynamics of Liquid Ni Using Pseudo-Potential Theory
Keywords:
BS Pseudopotential theory, Variational Modified Hypernatted Chain (VMHNC) method.Abstract
The Phonon dispersion curves of liquid Ni near its melting temperature have been investigated using two different models: Takeno-Goda and Hubbard-Beeby. Bretonnet-Silbert (BS) pseudo-potential has been used for the interatomic potential calculation. The pair distribution function g(r) obtained by Variational Modified Hypernatted Chain (VMHNC) method. The phonon dispersion data thus obtained is in good agreement with those of Gopala et al. Also the first minimum in (k) for longitudinal phonon modes and the first maximum in the static factor S(k) occur nearly at the same value of k according to the framework of Ziman’s Formalism. In addition, stiffness constants (C11 and C44) and compressibility have been calculated and compared with the available experimental data.
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