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• W2018485664 abstract "The phase transition behavior of ${text{PbTiO}}_{3}$ and ${text{BaTiO}}_{3}$ under (111) epitaxial strain is investigated using density-functional theory calculations. From tensile strains of $+0.015$ to compressive strains of $ensuremath{-}0.015$, ${text{PbTiO}}_{3}$ undergoes phase transitions from $C2$ through two $Cm$ phases and then to $R3m$. The total polarization is found to be almost independent of strain. For the same range of strains ${text{BaTiO}}_{3}$ undergoes phase transitions from a single $Cm$ phase, through $R3m$ and then to $Roverline{3}m$. In this case the application of compressive strain inhibits and then completely suppresses the polarization on transition to the nonpolar $Roverline{3}m$ phase." @default.
• W2018485664 created "2016-06-24" @default.
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• W2018485664 date "2008-09-03" @default.
• W2018485664 modified "2023-10-01" @default.
• W2018485664 title "Computational study of (111) epitaxially strained ferroelectric perovskites<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>BaTiO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>PbTiO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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• W2018485664 doi "https://doi.org/10.1103/physrevb.78.094102" @default.
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