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arXiv 0803.0777cond-mat.mtrl-sci
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Complex phase mixture and domain superstructure across a new lead-free ferroelectric/anti-ferroelectric morphotropic phase boundary

C. -J. Cheng, S. H. Lim, S. Fujino, W. R. McKenzie, V. Nagarajan, P. R. Munroe, I. Takeuchi, L. Salamanca-Riba, I. B. Misirlioglu

英文摘要:

We investigate the microstructural evolution in a ferroelectric to antiferroelectric phase transition at the morphotropic phase boundary in the Bi(1-x)SmxFeO3 system. Continuous Sm3+ substitution on the A-site induces short-range anti-parallel cation displacements as verified by the appearance of localized 1/4(110) weak spots in selected area electron diffraction patterns for 0.1<x<0.14 samples, and thus onset of antiferroelectricity. Kinetic Monte Carlo simulations confirm that increasing the strength of the anti-parallel interactions (i.e. increasing x) induces a ferroelectric to antiferroelectric transition. For 0.14<x<0.2 antiphase oxygen octahedra tilts induce complete antiferroelectricity.

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