Structural phase transformation through defect cluster growth in Gd-doped ceria

Defect clusters with ordered structures in Gd-doped ceria have been verified by transmission electron microscopy. Atomistic simulation validates further the ordered structures and related pathway for cluster growth. A unique dumbbell structure formed with six oxygen vacancies in a ceria matrix has been identified as the building block for defect cluster growth and sequentially for the evolution from a F- to C-type lattice. As such, the phase transformation as established on the atomic scale occurs through this defect cluster growth.