Strain tuning of ferroelectric polarization in hybrid organic inorganic perovskite compounds

Saurabh Ghosh; Domenico Di Sante; Alessandro Stroppa

doi:10.1021/acs.jpclett.5b01806

Strain tuning of ferroelectric polarization in hybrid organic inorganic perovskite compounds

J Phys Chem Lett. 2015 Nov 19;6(22):4553-9. doi: 10.1021/acs.jpclett.5b01806. Epub 2015 Nov 5.

Authors

Saurabh Ghosh¹, Domenico Di Sante^{2

3}, Alessandro Stroppa³

Affiliations

¹ School of Applied and Engineering Physics, Cornell University , Ithaca, New York 14850, United States.
² Department of Physical and Chemical Sciences, University of L'Aquila , Via Vetoio, 67100 L'Aquila, Italy.
³ CNR-SPIN , Via Vetoio, 67100 L'Aquila, Italy.

PMID: 26512946
DOI: 10.1021/acs.jpclett.5b01806

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.

Keywords: dipole canting; ferroelectricity; hybrid organic−inorganic materials; metal−organic frameworks; perovskite structure; strain.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.