Tuning the ferroelectric polarization in a multiferroic metal-organic framework (Articolo in rivista)

Type
Label
  • Tuning the ferroelectric polarization in a multiferroic metal-organic framework (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/ja408283a (literal)
Alternative label
  • Domenico Di Sante *+?, Alessandro Stroppa *?, Prashant Jain §, and Silvia Picozzi ? (2013)
    Tuning the ferroelectric polarization in a multiferroic metal-organic framework
    in Journal of the American Chemical Society (Online)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Domenico Di Sante *+?, Alessandro Stroppa *?, Prashant Jain §, and Silvia Picozzi ? (literal)
Pagina inizio
  • 18126 (literal)
Pagina fine
  • 18130 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://www.scopus.com/inward/record.url?eid=2-s2.0-84889799875&partnerID=q2rCbXpz (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 135 (literal)
Rivista
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  • 48 (literal)
Note
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • + Department of Physical and Chemical Sciences, University of L'Aquila, Via Vetoio, L'Aquila, Italy ? CNR-SPIN, L'Aquila, Italy § Los Alamos National Laboratory, 30 Bikini Atoll Road, Los Alamos, New Mexico 87545-0001, United States (literal)
Titolo
  • Tuning the ferroelectric polarization in a multiferroic metal-organic framework (literal)
Abstract
  • We perform density functional theory calculations on a recently synthesized metal-organic framework (MOF) with a perovskite-like topology ABX3, i.e., [CH3CH2NH3]Mn(HCOO)3, and predict a multiferroic behavior, i.e., a coexistence of ferroelectricity and ferromagnetism. A peculiar canted ordering of the organic A-cation dipole moments gives rise to a ferroelectric polarization of 2 ?C/cm2. Starting from these findings, we show that by choosing different organic A cations, it is possible to tune the ferroelectric polarization and increase it up to 6 ?C/cm2. The possibility of changing the magnitude and/or the canting of the organic molecular dipole opens new routes toward engineering ferroelectric polarization in the new class of multiferroic metal-organic frameworks. (literal)
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