Journal
APPLIED PHYSICS LETTERS
Volume 104, Issue 1, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4861639
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Funding
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0005245]
- U.S. Department of Energy (DOE) [DE-SC0005245] Funding Source: U.S. Department of Energy (DOE)
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Partial charge compensation in ferroelectric nanostructures is known to play a critical role in stabilizing equilibrium domain patterns. We use first-principles-based simulations to study the effect of partial charge compensation on the response of polarization to the electric field in PbTiO3 and BaTiO3 ultrathin films. Computational data predict that the response can be altered at the qualitative level by tailoring partial charge compensation. We report an unusual transition from ferroelectric to antiferroelectric to dielectric behavior induced by the change in the amount of compensating charge. Interestingly, films with antiferroelectric features exhibit superior potential for energy storage applications. (C) 2014 AIP Publishing LLC.
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