A comprehensive study of pressure dependent phase transitions in ferroelectric PbTiO3, PbZrO3 and BaTiO3

We investigate the pressure dependent polarization and phase transitions, based on the structural, electronic, piezoelectric and elastic properties in PbTiO3-P4mm, BaTiO3-P4mm, PbZrO3-R3m and BaTiO3-R3m

Namrata Jaykhedkar; Nilakantha Tripathy; Vaishali Shah; Bhalchandra Pujari; S. Premkumar

2020

Scholarcy highlights

  • Positive pressures lead to piezoelectric enhancements before the structural phase transition
  • Negative pressures lead to piezoelectric enhancement after the isomorphic phase transition
  • Points of isomorphic phase transitions in piezoelectric coefficients are the points of onset of mechanical instability
  • We investigate the pressure dependent polarization and phase transitions, based on the structural, electronic, piezoelectric and elastic properties in PbTiO3-P4mm, BaTiO3-P4mm, PbZrO3-R3m and BaTiO3-R3m
  • We report that the anomalous enhancement in the polarization at negative pressures is a precursor of the onset of the mechanical instability in the material
  • The onset of mechanical instability is the region of a node in piezoelectric constants dij

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