Dielectric screening properties in molten noble-metal halides

Abstract The inverse dielectric function 1/ ɛ ( q ) is newly obtained in terms of the charge–charge correlation functions S ZZ ( q ) by the re-examined theory of dielectric screening in molten salts. The new theory is applied to the molten noble-metal halides, i.e. AgBr and CuBr, in order to obtain S ZZ ( q ), and in due course, 1/ ɛ ( q ). The inter-ionic screened potential ϕ sc + − ( r ) is estimated using 1/ ɛ ( q ). The obtained screened potential ϕ sc + − ( r ) is treated as the potential of mean force to obtain the partial pair distribution function between cation and anion g +− ( r ). The results are compared to those obtained by diffraction experiments and molecular dynamics simulation. The deviation from Nernst–Einstein relation in the transport properties is also discussed.