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As the first well-documented example of the ferroelectric metal, LiOsO3 hasreceived extensive research attention recently. Using density-functionalcalculations, we perform a systematic study for LiOsO3. We address thecontroversy about the depth of the double well in the potential surface, andpropose that the ferroelectric transition is order-disorder like. Moreover, weunambiguously demonstrate that the electric screening in this compound ishighly anisotropic, and there is still unscreened dipole-dipole interaction inone special direction which results in the long range ferroelectric orderdespite the metallic nature of LiOsO3.

Metallic ferroelectricity induced by anisotropic unscreened coulomb interaction in LiOsO3