http://www.cnr.it/ontology/cnr/individuo/prodotto/ID198340
Unraveling the polar state in TMTTF2-PF6 organic crystals (Articolo in rivista)
- Type
- Label
- Unraveling the polar state in TMTTF2-PF6 organic crystals (Articolo in rivista) (literal)
- Anno
- 2012-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1103/PhysRevB.85.205146 (literal)
- Alternative label
Giovannetti, G.; Kumar, S.; Pouget, J.-P.; Capone, M. (2012)
Unraveling the polar state in TMTTF2-PF6 organic crystals
in Physical review. B, Condensed matter and materials physics; APS, American physical society, College Park, MD (Stati Uniti d'America)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Giovannetti, G.; Kumar, S.; Pouget, J.-P.; Capone, M. (literal)
- Pagina inizio
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- http://prb.aps.org/abstract/PRB/v85/i20/e205146 (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- 1Democritos National Simulation Center, Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali (IOM) and Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea 265, 34136 Trieste, Italy
2Indian Institute of Science Education and Research (IISER) Mohali, SAS Nagar, Sector 81, Mohali 140306, India
3Laboratoire de Physique des Solides, Université Paris Sud, CNRS, UMR 8502, 91405 Orsay, France
4Physics Department, University \"Sapienza,\" Piazzale A. Moro 2, 00185 Rome, Italy (literal)
- Titolo
- Unraveling the polar state in TMTTF2-PF6 organic crystals (literal)
- Abstract
- Combining density-functional theory and many-body approaches we investigate the origin of the ferroelectric phase generally observed in TMTTF2-X organic crystals. We solve by means of mean-field theory and exact diagonalization a two-dimensional tight-biding model built from density-functional theory calculations and we show that short-range interactions stabilize a dimerized charge-ordered state in a wide range of parameters. Two different charge-ordering patterns are found; these correspond to those observed for X=PF6 and X=SCN. In the former case, a lattice dimerization couples with the charge ordering, leading to a polarization. Due to the interplay between charge and magnetic ordering, such polarization appears to be magnetically driven, thus revealing TMTTF2-PF6 as a multiferroic material. (literal)
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