Atomic scale mechanism of the transformation of γ-alumina to θ-alumina

Shu Hui Cai, Sergey Rashkeev, Sokrates T. Pantelides, Karl Sohlberg

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Abstract

A theoretical study of the atomic scale mechanism of the phase transition from γ- to θ-alumina was performed. Although the unit cell of cubic γ-alumina looked quite different from that of monoclinic θ-alumina, both of them were described by cells containing Al16O24 that are very similar. When some of the Al atoms in γ-alumina moved to specific sites, a structure that is a close approximant of the θ-alumina structure formed.

Original languageEnglish
JournalPhysical Review Letters
Volume89
Issue number23
Publication statusPublished - 2 Dec 2002
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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