Materials discovery and design limits in MDABCO perovskites

Samuel D. Gale, Harry J. Lloyd,Louise Male,Mark R. Warren,Lucy K. Saunders,Paul A. Anderson,Hamish H-M Yeung

CRYSTENGCOMM（2022）

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摘要

We report the structures of three new materials in the MDABCO-based perovskite family. Analysis of the Goldschmidt tolerance factor and octahedral factor enable us to propose compositional limits for pseudo-cubic perovskite phase formation and suggest directions for further materials discovery in this family of new ferroelectrics.

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关键词

hybrid perovskite, MDABCO, ferroelectric, tolerance factor, materials design

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