Intermediate coupling theory of electronic ferroelectricity

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 techniqu...

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Veröffentlicht in:Physical review letters 2004-05, Vol.92 (18), p.187601-187601, Article 187601
Hauptverfasser: Batista, C D, Gubernatis, J E, Bonca, J, Lin, H Q
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.92.187601