Intermediate Coupling Theory of Electronic Ferroelectricity
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We calculate the quantum phase diagram of an extended Falicov-Kimball model for one- and two-dimensional systems in the intermediate coupling regime. Even though some features of the phase diagram are obtained analytically, the main results are calculated with a constrained path Monte Carlo technique. We find that this regime is dominated by a Bose-Einstein condensation of excitons with a built-in electric polarization. The inclusion of a finite hybridization between the bands removes the condensate but reinforces the ferroelectricity.
The spontaneous symmetry breaking in TaNiSe is structural in nature.
Baldini E, Zong A, Choi D, Lee C, Michael M, Windgaetter L Proc Natl Acad Sci U S A. 2023; 120(17):e2221688120.
PMID: 37071679 PMC: 10151608. DOI: 10.1073/pnas.2221688120.