Bond patterns and charge-order amplitude in quarter-filled charge-transfer solids
AffiliationUniv Arizona, Dept Phys
Univ Arizona, Dept Chem
MetadataShow full item record
PublisherAMER PHYSICAL SOC
CitationBond patterns and charge-order amplitude in quarter-filled charge-transfer solids 2017, 95 (12) Physical Review B
JournalPhysical Review B
Rights©2017 American Physical Society
Collection InformationThis 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 email@example.com.
AbstractMost 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.
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VersionFinal published version
SponsorsDepartment of Energy [DE-FG02-06ER46315, DE-AC02-05CH11231]