Interplay between Ca- and Ti-driven ferroelectric distortions in (Ba, Ca)TiO3 solid solutions from first-principles calculations
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DOI: 10.1063/1.5065655
Abstract: (Ba,Ca)(Ti,Zr)O3 solid solutions are promising lead-free piezoelectrics near their polymorphic phase boundary, which is believed to be linked to the interplay between B-site driven ferroelectricity and A-site driven ferroelectricity. Focusing on (Ba,Ca)TiO3, we support this… read more here.
Keywords: driven ferroelectricity; ferroelectricity; interplay driven; principles calculations ... See more keywords