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

Effects of structural distortion

Yasuhiro Tanaka, K. Yonemitsu

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

We theoretically investigate charge order and nonlinear conduction in the quasi-two-dimensional organic conductor β-(meso-DMBEDT-TTF) 2PF6 (DMBEDT-TTF=dimethylbis(ethylenedithio) tetrathiafulvalene). Within the Hartree-Fock approximation, we study the 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.

Original languageEnglish
Article number465603
JournalJournal of Physics Condensed Matter
Volume25
Issue number46
DOIs
Publication statusPublished - 2013 Nov 20
Externally publishedYes

Fingerprint

Organic conductors
metastable state
conductors
Hartree approximation
Hubbard model
Current voltage characteristics
Threshold voltage
Green's function
threshold voltage
Melting
Green's functions
melting
conduction
Electrons
electric potential
electrons
interactions

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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title = "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 the quasi-two-dimensional organic conductor β-(meso-DMBEDT-TTF) 2PF6 (DMBEDT-TTF=dimethylbis(ethylenedithio) tetrathiafulvalene). Within the Hartree-Fock approximation, we study the 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.",
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N2 - We theoretically investigate charge order and nonlinear conduction in the quasi-two-dimensional organic conductor β-(meso-DMBEDT-TTF) 2PF6 (DMBEDT-TTF=dimethylbis(ethylenedithio) tetrathiafulvalene). Within the Hartree-Fock approximation, we study the 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.

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