Roger A. De Souza

Diffusion Kinetics of Ba Cations in Perovskite BaTiO3: A Combined Tracer Diffusion and Metadynamics Study

Abstract Tracer diffusion experiments and metadynamics (MetaD) simulations were used to study the diffusion of Ba cations in the cubic phase of the perovskite oxide BaTiO3. 130BaTiO3 thin films were used as diffusion sources to introduce barium tracer diffusion profiles into sing...