Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice

Zhanfang Li, Tianquan Lü, Wenwu Cao

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Abstract

The influence of epitaxial strain on the crystal structure and polarization of KNbO3/NaNbO3 (KNO/NNO) superlattice has been quantified using density functional theory based on pseudopotential and plane-wave basis. A sequence of structural phase transitions with changing the in-plane misfit strain has been identified. If the compressive strain is more than -0.8%, tetragonal phase with polarization along [001] is stable. For the misfit strain between -0.8% and 0.36%, the stable phase is monoclinic while the stable phase becomes orthorhombic with polarization along [110] when the tensile strain is more than 0.36%. The spontaneous polarization in the orthorhombic phase reaches more than 70 μC/ cm2.

Original languageEnglish (US)
Article number126106
JournalJournal of Applied Physics
Volume104
Issue number12
DOIs
StatePublished - Dec 1 2008

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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