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arXiv · 1409.4953

Metallic ferroelectricity induced by anisotropic unscreened coulomb interaction in LiOsO3

H. M. Liu·Y. P. Du·Y. L. Xie·J. -M. Liu·Chun-Gang Duan·Xiangang Wan
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Abstract

As the first well-documented example of the ferroelectric metal, LiOsO3 has received extensive research attention recently. Using density-functional calculations, we perform a systematic study for LiOsO3. We address the controversy about the depth of the double well in the potential surface, and propose that the ferroelectric transition is order-disorder like. Moreover, we unambiguously demonstrate that the electric screening in this compound is highly anisotropic, and there is still unscreened dipole-dipole interaction in one special direction which results in the long range ferroelectric order despite the metallic nature of LiOsO3.

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H. M. Liu, Y. P. Du, Y. L. Xie, J. -M. Liu, Chun-Gang Duan, Xiangang Wan. 2014-09-17. Metallic ferroelectricity induced by anisotropic unscreened coulomb interaction in LiOsO3. https://doi.org/10.1103/physrevb.91.064104

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