Superdefects in Na β″ alumina: Computer simulation of ionic conductivity and conduction mechanisms

Alexander Pechenik*, D. H. Whitmore, Mark A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


Mobile-ion correlation phenomena in Na+-β″ alumina are studied using the Monte-Carlo (MC) method to analyze a lattice hopping model of ionic behavior. Ionic conductivity is calculated for various ion-site occupancies, ρ{variant}'s, and a wide range of temperatures. Significant curvature of the Arrhenius plot, which resembles certain experimental data on β″ aluminas, is found for ρ{variant} {reversed tilde equals} 0.5. This observation is analyzed in terms of formation of a long-range ordered superlattice. The mechanism of charge transport on the superlattice involves movement of complex defects of the vacancy-type, which we call supervacancies, or of the interstitial-type, which we call superinterstitials. The Nernst-Einstein relation holds for superdefects. Finally, the optimum ion density for conduction is estimated for different temperatures.

Original languageEnglish (US)
Pages (from-to)287-294
Number of pages8
JournalSolid State Ionics
Issue numberPART 1
StatePublished - Dec 1983

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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