Composition modulation away from the polar direction inalloys
- 18 July 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 64 (6), 060102
- https://doi.org/10.1103/physrevb.64.060102
Abstract
A first-principles-derived approach is used to study properties of alloys that are compositionally modulated along the [001] pseudocubic direction. The direction of the local electrical polarizations is found to be spatially-dependent, and can be adjusted with the modulation parameters. Furthermore, modulated structures with large composition gradients adopt a monoclinic phase—in which the total electrical polarization lies between the [111] and [110] directions—for their ferroelectric ground state, and exhibit large electromechanical responses.
Keywords
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