Charge order and possible bias-induced metastable state in the organic conductor β-(meso-DMBEDT-TTF)2PF6: effects of structural distortion

Abstract

We theoretically investigate charge order and nonlinear conduction in a quasi-two-dimensional organic conductor β-(meso-DMBEDT-TTF)2PF6 [DMBEDT-TTF=dimethylbis(ethylenedithio)tetrathiafulvalene]. Within the Hartree-Fock approximation, we study effects of structural distortion on the experimentally observed checkerboard charge order and its bias-induced melting by using an extended Hubbard model with Peierls- and Holstein-types of electron-lattice interactions. The structural distortion is important in realizing the charge order. The current-voltage characteristics obtained by a nonequilibrium Green's function method indicate that a charge-ordered insulating state changes into a conductive state. Although the charge order and lattice distortions are largely suppressed at a threshold voltage, they remain finite even in the conductive state. We discuss the relevance of the results to experimental observations, especially to a possible bias-induced metastable state.

References in corpus (7)

• The Paired Electron Crystal: order from frustration in the quarter-filled band
• Non-equilibrium electronic transport in a one-dimensional Mott insulator
• Ab initio two-dimensional multiband low-energy models of EtMe_3Sb[Pd(dmit)_2]_2 and κ-(BEDT-TTF)_2Cu(NCS)_2 with comparisons to single-band models
• Photoinduced melting of charge order in a quarter-filled electron system coupled with different types of phonons
• Suppression of rectification at metal-Mott-insulator interfaces
• Crossover from bias-induced to field-induced breakdowns in one-dimensional band and Mott insulators attached to electrodes
• Nonequilibrium Green's-Function Approach to the Suppression of Rectification at Metal--Mott-Insulator Interfaces

Cited by in corpus (1)

• Roles of Potential Gradient and Electrode Bandwidth on Negative Differential Resistance in One-Dimensional Band Insulator