Structural Properties of Some Liquid 3d Transition Metals

Abstract

The numerical results of the static structure factors, S(q), its equivalent pair distribution function, g(r) which yields by Fourier inversion of
the earlier, for some liquid 3d transition metals are presented sequentially in this study. The effective interionic (ion-ion) interaction is a
crucial factor for the theoretical studies of the above properties. A model pseudotential which connects the sp and d-band contributions is
employed to derive the effective interionic interactions deduced from an inverse scattering method. The liquid structure is calculated using
the linearised version of the Weeks-chandler-Andersen (LWCA) thermodynamic perturbation theory of liquids. The resulting S(q)s and g(r)s
agree plausibly well with the observed X-ray diffraction data.