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- W2963856503 abstract "Ab initio calculations are utilized as an input to develop a simple model of polarization in epitaxial short-period $mathrm{Ca}mathrm{Ti}{mathrm{O}}_{3}∕mathrm{Sr}mathrm{Ti}{mathrm{O}}_{3}∕mathrm{Ba}mathrm{Ti}{mathrm{O}}_{3}$ superlattices grown on a $mathrm{Sr}mathrm{Ti}{mathrm{O}}_{3}$ substrate. The model is then combined with a genetic algorithm technique to optimize the arrangement of individual $mathrm{Ca}mathrm{Ti}{mathrm{O}}_{3}$, $mathrm{Sr}mathrm{Ti}{mathrm{O}}_{3}$, and $mathrm{Ba}mathrm{Ti}{mathrm{O}}_{3}$ layers in a superlattice, predicting structures with the highest possible polarization and a low in-plane lattice constant mismatch with the substrate. This modeling procedure can be applied to a wide range of layered perovskite-oxide nanostructures providing guidance for experimental development of nanoelectromechanical devices with substantially improved polar properties." @default.
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- W2963856503 date "2006-03-16" @default.
- W2963856503 modified "2023-09-26" @default.
- W2963856503 title "Predicting polarization enhancement in multicomponent ferroelectric superlattices" @default.
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