Structural Aspects of Phase Equilibria in the Strontium‐Titanium‐Oxygen System

Energies of formation of the members of the homologous series SrO · nSrTiO 3 , through a Ruddlesden‐Popper type of superlattice ordering, have been examined by employing atomistic computer simulation techniques. Results of the calculations have been shown to provide a theoretical basis for the observation that a limited number of superstructures form single phases in the Sr‐Ti‐O system.