Quantum dielectric fluctuation in electronic ferroelectricity studied by variational monte-carlo method

Tsutomu Watanabe, Sumio Ishihara

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The electronic structure and dielectric property in electronic ferroelectricity, where electric polarization is driven by an electronic charge order without inversion symmetry, are studied. Motivated by layered iron oxides, the roles of quantum fluctuation in ferroelectricity in a paired-triangular lattice are focused on. Three types of V-t model, where the intersite Coulomb interaction V and the electron transfer t for spinless fermions are taken into account, are examined by the variational Monte-Carlo method with the Gutzwiller-type correlation factor. It is shown that the electron transfer between the triangular layers corresponding to the interlayer polarization fluctuation promotes a three-fold charge order associated with electric polarization. This result is in high contrast to the usual result observed in the hydrogen-bond type ferroelectricities and quantum paraelectric oxides, where the ferroelectric order is suppressed by quantum fluctuation. The spin degree of freedom of electrons and a realistic interlayer geometry for layered iron oxides further stabilize the polar charge ordered state. The implications of the numerical results for layered iron oxides are discussed.

Original languageEnglish
Article number114714
Journaljournal of the physical society of japan
Volume79
Issue number11
DOIs
Publication statusPublished - 2010 Nov 1

Keywords

  • Charge order
  • Ferroelectricity
  • Frustration

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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