Point defect equilibrium in strontium titanate thin films

Equilibrium calculations of point defect and electronic carrier distributions in acceptor impurity-containing SrTiO3 thin films were performed. The simulation methodology was based on previous calculations of near-grain boundary point defect equilibrium in acceptor-doped SrTiO3 ceramics. Attention was focused on the effects of temperature and the presence of Pt electrode interfaces on the conditions for defect equilibrium. The local electrostatic potential and the distribution of oxygen vacancies across films of varying thickness were predicted for various simulated equilibration conditions. The effects of hydrogen doping were analyzed, and simulated equilibrium potential distributions were compared to the results of reported photoelectron spectroscopy studies of Pt/SrTiO3 and Pt/(Ba, Sr)TiO3 thin film structures. (C) 2001 American Institute of Physics.