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arXiv · 0804.0630

Polarization Saturation in Strained Ferroelectrics

Yanpeng Yao·Huaxiang Fu
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Abstract

Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Different from common expectations, we find that the polarizations in all three substances saturate at large strains, demonstrating a universal phenomenon. The saturation is shown to originate from an unusual and strong electron-ion correlation that leads to cancellation between electronic and ionic polarizations. Our results shed new insight on the polarization properties, and reveal the existence of a fundamental limit to the strain-induced polarization enhancement.

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Yanpeng Yao, Huaxiang Fu. 2008-04-03. Polarization Saturation in Strained Ferroelectrics. https://arxiv.org/abs/0804.0630

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