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DC Field | Value | Language |
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dc.contributor.author | Kiyota, Y. | - |
dc.contributor.author | Jeon, I.-R. | - |
dc.contributor.author | Jeannin, O. | - |
dc.contributor.author | Beau, M. | - |
dc.contributor.author | Kawamoto, T. | - |
dc.contributor.author | Alemany i Cahner, Pere | - |
dc.contributor.author | Canadell, Enric, 1950- | - |
dc.contributor.author | Mori, T. | - |
dc.contributor.author | Fourmigué, M. | - |
dc.date.accessioned | 2022-03-22T18:45:10Z | - |
dc.date.available | 2022-03-22T18:45:10Z | - |
dc.date.issued | 2019-09-27 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/2445/184291 | - |
dc.description.abstract | A 1 : 1 metallic charge-transfer salt is obtained by cosublimation of (Z,E)-(SMe)2Me2TTF and TCNQ. X-ray diffraction studies confirm the formation of segregated stacks comprising donor and acceptor molecules in [(E)-(SMe)2Me2TTF](TCNQ). The crystal packing features lateral SS interactions between TTF stacks, which is in sharp contrast to that in (TTF)(TCNQ). Structural analysis and theoretical studies afford a partial charge-transfer (r E 0.52), leading to a system with the electronic structure close to quarter-filled. Resistivity measurements reveal that this material behaves as a metal down to 56 K and 22 K at 1 bar and 14.9 kbar, respectively. The thermopower is negative in the metallic regime, indicating the dominant role of the acceptor stacks for the observed conducting behavior. Analysis of single- crystal EPR spectra shows the remaining spin susceptibility at 4.3 K, suggesting the importance of the Hubbard U correction. These results highlight the judicious engineering of electronic and geometrical effects on the TTF core; the combined use of methyl and thiomethyl groups has decreased the TCNQ bandwidth while maintaining the segregated stacks, converting the metal to insulator (M-I) transition to more 4kF like. In addition, the enhanced SS contacts between the TTF stacks lead to more rapidly decreasing M-I transition temperature under various pressures. | - |
dc.format.extent | 8 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Royal Society of Chemistry | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1039/C9CP04320A | - |
dc.relation.ispartof | Physical Chemistry Chemical Physics, 2019, vol. 40, p. 22639-22646 | - |
dc.relation.uri | https://doi.org/10.1039/C9CP04320A | - |
dc.rights | (c) Kiyota, Y. et al., 2019 | - |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Difracció de raigs X | - |
dc.subject.classification | Estructura electrònica | - |
dc.subject.other | X-rays diffraction | - |
dc.subject.other | Electronic structure | - |
dc.title | Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 714088 | - |
dc.date.updated | 2022-03-22T18:45:11Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
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File | Description | Size | Format | |
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714088.pdf | 843.07 kB | Adobe PDF | View/Open |
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