Bond patterns and charge-order amplitude in quarter-filled charge-transfer solids

R. T. Clay, A. B. Ward, N. Gomes, S. Mazumdar

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

Most quasi-one-dimensional (quasi-1D) quarter-filled organic charge-transfer solids (CTS) with insulating ground states have two thermodynamic transitions: a high-temperature metal-insulator transition followed by a low-temperature magnetic transition. This sequence of transitions can be understood within the 1D Peierls-extended Hubbard (PEH) model. However, in some quasi-1D CTS both transitions occur simultaneously in a direct metal to spin-gapped insulator transition. In this second class of materials the organic stack bond distortion pattern does not follow the pattern of a second dimerization of a dimer lattice. These materials also display charge ordering of a large amplitude below the transition. Using quantum Monte Carlo methods we show that the same PEH model can be used to understand both classes of materials, however, within different parameter regions. We discuss the relevance of our work to experiments on several quarter-filled conductors, focusing in particular on the materials (EDO-TTF)2X and (DMEDO-TTF)2X.

Original languageEnglish (US)
Article number125114
JournalPhysical Review B
Volume95
Issue number12
DOIs
StatePublished - Mar 10 2017

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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