Spin and Charge Fluctuations and Lattice Effects on Charge Ordering in α-(BEDT-TTF)_2I_3(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

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概要

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• The effects of spin and charge fluctuations and electron-phonon couplings on charge ordering in α-(BEDT-TTF)_2I_3 [BEDT-TTF=bis(ethylenedithio)-tetrathiafulvalence] are investigated theoretically for an anisotropic triangular lattice at 3/4 filling. By the exact-diagonalization method, we have calculated the hole density distributions and the modulations of transfer integrals from high-temperature values as a function of electron-phonon coupling strength. The results clearly show that the lattice effect on α-(BEDT-TTF)_2I_3 is weak compared with that on θ-(BEDT-TTF)_2RbZn (SCN)_4, as previously found by experiments. This finding, which is also consistent with recent mean-field results, is systematically explained by strong-coupling perturbation theory; the effects of spin fluctuations are partially canceled by charge fluctuations in α-(BEDT-TTF)_2I_3.

• 2008-09-15

著者

• MIYASHITA Satoshi

  Institute for Materials Research, Tohoku University

• YONEMITSU Kenji

  Institute for Molecular Science

• Miyashita Satoshi

  Institute For Materials Research Tohoku University:institute For Molecular Science

• Yonemitsu Kenji

  Institute For Molecular Science:department Of Functional Molecular Science Graduate University For A

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