Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices
- ORNL
- Rutgers University
Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for PTO concentrations below 50%. In addition, a significant decrease in the c/a ratio below the PTO values were observed. Using a superlattice effective Hamiltonian we predict an enhancement in the d33 piezoelectric coefficient peaking at ~75% PTO concentration due to the different polarization-strain coupling in PTO and BTO layers. Further analysis reveals that these trends are bulk properties which are a consequence of the reduced P brought about by the polarization saturation in the BTO layers.
- Research Organization:
- Oak Ridge National Laboratory (ORNL)
- Sponsoring Organization:
- SC USDOE - Office of Science (SC)
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 979146
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 18 Vol. 79; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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