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. 2020 May 18;59(21):8240-8246.
doi: 10.1002/anie.202001922. Epub 2020 Apr 6.

A Pressure-Induced Inverse Order-Disorder Transition in Double Perovskites

Zheng Deng  1   2 , Chang-Jong Kang  3 , Mark Croft  3 , Wenmin Li  1 , Xi Shen  1 , Jianfa Zhao  1 , Richeng Yu  1 , Changqing Jin  1 , Gabriel Kotliar  3 , Sizhan Liu  4 , Trevor A Tyson  4 , Ryan Tappero  5 , Martha Greenblatt  2
Affiliations

A Pressure-Induced Inverse Order-Disorder Transition in Double Perovskites

Zheng Deng et al. Angew Chem Int Ed Engl. .

Abstract

Given the consensus that pressure improves cation ordering in most of known materials, a discovery of pressure-induced disordering could require recognition of an order-disorder transition in solid-state physics/chemistry and geophysics. Double perovskites Y2 CoIrO6 and Y2 CoRuO6 polymorphs synthesized at 0, 6, and 15 GPa show B-site ordering, partial ordering, and disordering, respectively, accompanied by lattice compression and crystal structure alteration from monoclinic to orthorhombic symmetry. Correspondingly, the long-range ferrimagnetic ordering in the B-site ordered samples are gradually overwhelmed by B-site disorder. Theoretical calculations suggest that unusual unit-cell compressions under external pressures unexpectedly stabilize the disordered phases of Y2 CoIrO6 and Y2 CoRuO6 .

Keywords: double perovskites; lattice compression; magnetic frustration; pressure-induced B-site disorder; statistical model.

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