The Role of Long-Range Coulomb Interaction in the Neutral-to-Ionic Transition of Quasi-One-Dimensional Charge Transfer Compounds

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概要

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• The neutral (N)-to-tonic (I) transition with dimerization, found in organic charge transfercompounds with mixed stacking, has been studied using a self-consistent theory which takes exactaccount of long-range Coulomb interactions but neglects interchain coupling. The unrestrictedHartree-Fock approximation gives a set of optimally mixed donor-acceptor bands with optical gapwhich bifurcates in the I phase. The dimerization is ascribed to the electrostatic instability, ratherthan to the distance dependence of the intermolecular electronic transfer energy as is usuallydone. The phase diagram for the first-order N-I transition with dimerization and discontinuouschange of charge transfer is presented on the parameter plane of the redox potexutial and thetransfer energy. The results of numerical calculations are consistent with the experimental datafor tetrathiafulvalene-chloranil compound.

• 社団法人日本物理学会の論文
• 1996-03-15

著者

• TOYOZAWA Yutaka

  Department of Physics,Chuo University

• Toyozawa Yutaka

  Department Of Applied Physics Tokyo University

• Toyozawa Yutaka

  Department Of Physics Chuo University

• IIZUKA-SAKANO Takako

  Department of Applied Physics,University of Tokyo

• Iizuka-sakano Takako

  Department Of Applied Physics University Of Tokyo

• Iizuka-sakano Takako

  Department Of Physics Chuo University

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