Phase stability and interfacial structures in the SrO–SrTiO3system

Abstract
The phase stability of the subsolidus region in the composition regime SrO–SrTiO3 has been studied using a combination of atomistic computer simulation techniques and high-resolution electron microscopy (HREM). Both predictions from atomistic calculations and HREM observations suggest that at low concentrations (less than 50mol% excess SrO), strontium-rich non-stoichiometry is accommodated by formation of a specific Ruddlesden-Popper defect phase (Sr3Ti2O7) with overall composition maintained by a coherent intergrowth of Sr3Ti2O7 and SrTiO3 phases. A model is proposed for the atomic structure of the Sr3Ti2O7-SrTiO3 interface.

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