title: Strain tuning of ferroelectric polarization in hybrid organic inorganic perovskite compounds.
abstract: Metal-organic frameworks (MOFs) are hybrid crystalline compounds comprised of an extended ordered network made up of organic molecules, organic linkers and metal cations. In particular, MOFs with the same topology as inorganic perovskites have been shown to possess interesting properties, e.g., coexistence of ferroelectric and magnetic ordering. Using first-principles density functional theory, we have investigated the effect of strain on the compounds C(NH2)3Cr(HCOO)3 and (CH3CH2NH3)Mn(HCOO)3. Here, we show that compressive strain can substantially increase the ferroelectric polarization by more than 300%, and we discuss the mechanism involved in the strain enhancement of polarization. Our study highlights the complex interplay between strain and organic cations' dipoles and put forward the possibility of tuning of ferroelectric polarization through appropriate thin film growing.
authors.affiliation: School of Applied and Engineering Physics, Cornell University , Ithaca, New York 14850, United States.
authors.forename: Saurabh
authors.initials: S
authors.lastname: Ghosh
authors.affiliation: Department of Physical and Chemical Sciences, University of L'Aquila , Via Vetoio, 67100 L'Aquila, Italy.|CNR-SPIN , Via Vetoio, 67100 L'Aquila, Italy.
authors.forename: Domenico
authors.initials: D
authors.lastname: Di Sante
authors.affiliation: CNR-SPIN , Via Vetoio, 67100 L'Aquila, Italy.
authors.forename: Alessandro
authors.initials: A
authors.lastname: Stroppa
keywords: dipole canting; ferroelectricity; hybrid organic−inorganic materials; metal−organic frameworks; perovskite structure; strain