Article ID Journal Published Year Pages File Type
1625291 Journal of Alloys and Compounds 2008 6 Pages PDF
Abstract

The inverse dielectric function 1/ɛ(q) is newly obtained in terms of the charge–charge correlation functions SZZ(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 SZZ(q), and in due course, 1/ɛ(q  ). The inter-ionic screened potential ϕsc+−(r) is estimated using 1/ɛ(q  ). The obtained screened potential ϕsc+−(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.

Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
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