Piezoelectric properties of ferroelectric perovskite superlattices with polar discontinuity

  title={Piezoelectric properties of ferroelectric perovskite superlattices with polar discontinuity},
  author={Alexander I. Lebedev},
  journal={Computational Materials Science},
  • A. Lebedev
  • Published 7 November 2020
  • Physics, Materials Science
  • Computational Materials Science
Abstract The stability of a high-symmetry P 4 mm polar phase in seventeen short-period ferroelectric perovskite superlattices with polar discontinuity is studied from first principles within the density-functional theory. It is shown that in most superlattices this phase exhibits either the ferroelectric instability or the antiferrodistortive one, or both of them. For each superlattice, the ground-state structure, the structure of possible metastable phases, the spontaneous polarization, and… 
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