Thermodynamical and Structural Properties of Some Liquid Transition Metals near Melting Point

Abstract

Structure factor S(q) and thermodynamic properties like entropy (S), isothermal compressibility (chi(T)), specific heat (C-V) have been calculated for liquid 3d (Ti, V, Cr and Mn), 4d (Pd, Zr) and 5d (Pt) transition metals. In this work, we have used newly constructed Bretonnet-Silbert potential to describe electron-ion and ion-ion interaction using different reference systems. It is observed that our results are found to be in good agreement with experimental data as well as with other theoretical results.