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- W2001292023 abstract "Using first-principles calculations, we investigated the strain dependences of the polarization and dielectric properties of epitaxial BaTiO3 crystals over a wide range of misfit strains. We predict stabilization of the monoclinic r-phase over a wide range of strained states in the epitaxial BaTiO3. The lowest energy [111] phonons in the r-phase become softened as the misfit strain approaches the transition boundaries towards the c- and aa-phases, but incomplete at the boundaries, in contrast to strained SrTiO3. The strain dependence of the dielectric constant shows broadened peaks and considerable deviation from the Curie-Weiss-type law near critical strains, which are attributed to the incomplete phonon softening." @default.
- W2001292023 created "2016-06-24" @default.
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- W2001292023 date "2012-07-01" @default.
- W2001292023 modified "2023-09-30" @default.
- W2001292023 title "Strain dependent polarization and dielectric properties of epitaxial BaTiO3 from first-principles" @default.
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- W2001292023 doi "https://doi.org/10.1063/1.4736375" @default.
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