Approach to metallic behavior in metal molten-salt solutions

E. Fois, A. Selloni, M. Parrinello

Research output: Contribution to journalArticle

48 Scopus citations

Abstract

A combined molecular-dynamics density-functional simulation of concentrated Kx(KCl)1-x solutions with x0.11 has been performed. Bipolaronic structures where two spin-paired electrons are trapped in the same liquid cavity are seen to be a characteristic feature of this mixture. The bipolarons exhibit a tendency to clustering. At x0.11 the bipolaronic clusters tend to have an elongated percolating structure which leads to metallic behavior. Our findings are in good agreement with available experimental information.

Original languageEnglish (US)
Pages (from-to)4812-4815
Number of pages4
JournalPhysical Review B
Volume39
Issue number7
DOIs
StatePublished - Jan 1 1989
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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