Structural properties of some liquid transition metals

Abstract

This article addresses the computation of structural properties of liquid transition metals, namely, 3d (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn), 4d (Zr, Pd, Ag and Cd) and 5d (Pt, Au and Hg). We have calculated the structure factor S(q), pair distribution function g(r), interatomic distance r 1, coordination number n 1, long wavelength limit of structure factor S(0) and isothermal compressibility χT for liquid transition metals. To describe electron–ion interaction, we have used our own model potential along with one component plasma reference system. To see the influence of exchange and correlation effect, Sarkar et al.'s [Mod. Phys. Lett. B12, 639 (1998)] local field correlation function is used. Thus, our newly constructed model potential has successfully generated the structural properties (structure factor S(q), pair distribution function g(r), interatomic distance r 1, coordination number n 1, long wavelength limit of structure factor S(0) and isothermal compressibility χT ) for liquid transition metals.