Bond patterns and charge-order amplitude in quarter-filled charge-transfer solids
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PhysRevB.95.125114.pdf
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Univ Arizona, Dept PhysUniv Arizona, Dept Chem
Issue Date
2017-03-10
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AMER PHYSICAL SOCCitation
Bond patterns and charge-order amplitude in quarter-filled charge-transfer solids 2017, 95 (12) Physical Review BJournal
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© 2017 American Physical Society.Collection Information
This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.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 Peierlsextended 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.Note
Authors retain "The right to use all or part of the Article, including the APS-prepared version without revision or modification, on the author(s)’ web home page or employer’s website and to make copies of all or part of the Article, including the APS-prepared version without revision or modification, for the author(s)’ and/or the employer’s use for educational or research purposes."ISSN
2469-99502469-9969
Version
Final published versionSponsors
Department of Energy [DE-FG02-06ER46315, DE-AC02-05CH11231]Additional Links
https://link.aps.org/doi/10.1103/PhysRevB.95.125114ae974a485f413a2113503eed53cd6c53
10.1103/PhysRevB.95.125114