Abstract
A first-principles-based technique is used to determine the temperature versus misfit strain phase diagram of epitaxially grown (001) $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}∕\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ superlattices of different periods. Short superlattices exhibit a phase diagram that resemble that of (001) $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ thin films under short-circuit-like conditions. On the other hand, original domain patterns with unusual atomistic features occurred in the longer superlattices. The reason behind such a dramatic difference between short and longer superlattices is discussed.
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