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.
|Journal||Physical Review Letters|
|Publication status||Published - 2 Dec 2002|
ASJC Scopus subject areas
- Physics and Astronomy(all)