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Control of Multipolar and Orbital Order in Perovskite-like [C(NH 2 ) 3 ]Cu x Cd 1– x (HCOO) 3 Metal–Organic Frameworks

DOI: 10.1021/jacs.6b05208 DOI Help

Authors: Nicole L. Evans (University of Oxford) , Peter M. M. Thygesen (University of Oxford) , Hanna L. B. Bostroem (University of Oxford) , Emily M. Reynolds (University of Oxford) , Ines E. Collings (University of Oxford) , Anthony E. Phillips (Queen Mary, University of London) , Andrew Goodwin (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 138 , PAGES 9393 - 9396

State: Published (Approved)
Published: August 2016

Abstract: We study the compositional dependence of molecular orientation (multipolar) and orbital (quadrupolar) order in the perovskite-like metal–organic frameworks [C(NH2)3]CuxCd1–x(HCOO)3. Upon increasing the fraction x of Jahn–Teller-active Cu2+, we observe an orbital disorder/order transition and a multipolar reorientation transition, each occurring at distinct critical compositions xo = 0.45(5) and xm = 0.55(5). We attribute these transitions to a combination of size, charge distribution, and percolation effects. Our results establish the accessibility in formate perovskites of novel structural degrees of freedom beyond the familiar dipolar terms responsible for (anti)ferroelectric order. We discuss the implications of cooperative quadrupolar and multipolar states for the design of relaxor-like hybrid perovskites.

Subject Areas: Materials

Instruments: I11-High Resolution Powder Diffraction

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