Multiferroic materials based on organic transition-metal molecular nanowires

Menghao Wu, J. D. Burton, Evgeny Y. Tsymbal, Xiao Cheng Zeng, Puru Jena

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

We report on the density functional theory aided design of a variety of organic ferroelectric and multiferroic materials by functionalizing crystallized transition-metal molecular sandwich nanowires with chemical groups such as -F, -Cl, -CN, -NO 2, =O, and -OH. Such functionalized polar wires exhibit molecular reorientation in response to an electric field. Ferroelectric polarizations as large as 23.0 μC/cm 2 are predicted in crystals based on fully hydroxylized sandwich nanowires. Furthermore, we find that organic nanowires formed by sandwiching transition-metal atoms in croconic and rhodizonic acids, dihydroxybenzoquinone, dichloro-dihydroxy-p-benzoquinone, or benzene decorated by -COOH groups exhibit ordered magnetic moments, leading to a multiferroic organometallic crystal. When crystallized through hydrogen bonds, the microscopic molecular reorientation translates into a switchable polarization through proton transfer. A giant interface magnetoelectric response that is orders of magnitude greater than previously reported for conventional oxide heterostructure interfaces is predicted.

Original languageEnglish (US)
Pages (from-to)14423-14429
Number of pages7
JournalJournal of the American Chemical Society
Volume134
Issue number35
DOIs
StatePublished - Sep 5 2012

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Nanowires
Transition metals
Metals
Ferroelectric materials
Polarization
Crystals
Proton transfer
Organometallics
Benzene
Magnetic moments
Oxides
Density functional theory
Heterojunctions
Protons
Hydrogen
Hydrogen bonds
Electric fields
Wire
Atoms
Acids

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Multiferroic materials based on organic transition-metal molecular nanowires. / Wu, Menghao; Burton, J. D.; Tsymbal, Evgeny Y.; Zeng, Xiao Cheng; Jena, Puru.

In: Journal of the American Chemical Society, Vol. 134, No. 35, 05.09.2012, p. 14423-14429.

Research output: Contribution to journalArticle

Wu, Menghao ; Burton, J. D. ; Tsymbal, Evgeny Y. ; Zeng, Xiao Cheng ; Jena, Puru. / Multiferroic materials based on organic transition-metal molecular nanowires. In: Journal of the American Chemical Society. 2012 ; Vol. 134, No. 35. pp. 14423-14429.
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