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Order-disorder transition of a rigid cage cation embedded in a cubic perovskite.

ABSTRACT: The structure and properties of organic-inorganic hybrid perovskites are impacted by the order-disorder transition, whose driving forces from the organic cation and the inorganic framework cannot easily be disentangled. Herein, we report the design, synthesis and properties of a cage-in-framework perovskite AthMn(N₃)₃, where Ath⁺ is an organic cation 4-azatricyclo[2.2.1.0^2,6]heptanium. Ath⁺ features a rigid and spheroidal profile, such that its molecular reorientation does not alter the cubic lattice symmetry of the Mn(N₃)₃^- host framework. This order-disorder transition is well characterized by NMR, crystallography, and calorimetry, and associated with the realignment of Ath⁺ dipole from antiferroelectric to paraelectric. As a result, an abrupt rise in the dielectric constant was observed during the transition. Our work introduces a family of perovskite structures and provides direct insights to the order-disorder transition of hybrid materials.

SUBMITTER: Shi Z

PROVIDER: S-EPMC8192939 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature

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Order-disorder transition of a rigid cage cation embedded in a cubic perovskite.

Shi Zhifang Z Fang Zheng Z Wu Jingshu J Chen Yi Y Mi Qixi Q

Nature communications 20210610 1

The structure and properties of organic-inorganic hybrid perovskites are impacted by the order-disorder transition, whose driving forces from the organic cation and the inorganic framework cannot easily be disentangled. Herein, we report the design, synthesis and properties of a cage-in-framework perovskite AthMn(N3)3, where Ath+ is an organic cation 4-azatricyclo[2.2.1.02,6]heptanium. Ath+ features a rigid and spheroidal profile, such that ...[more]

PMID: 34112786

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