title: Predicting and Screening Dielectric Transitions in a Series of Hybrid Organic-Inorganic Double Perovskites via an Extended Tolerance Factor Approach.
abstract: Extended Goldschmidt tolerance factor t is applied to the hybrid double perovskites (MA)2 [B'B''(CN)6 ] (MA=methylammonium cation) to predict and screen dielectric transitions in 121 compounds through the correlations among t, the radius of the B component rB and the transition temperature Tc , based on experimental results from model compounds. For (MA)2 [B'Co(CN)6 ], it is concluded that: i) when t>0.873, the cubic phase would be stable below 298 K; ii) when 0.873>t>0.805, the cubic phase would be stable between 298 and 523 K; iii) the larger the rB , the higher the Tc of the perovskite (Tc (1/2) ∝rB ); and iv) the Tc of the hybrid perovskites can be well tuned by doping the B components.
authors.affiliation: Ordered Matter Science Research Center, Southeast University, Nanjing, 211189, Jiangsu, China.
authors.forename: Chao
authors.initials: C
authors.lastname: Shi
authors.affiliation: Ordered Matter Science Research Center, Southeast University, Nanjing, 211189, Jiangsu, China.
authors.forename: Chun-Hua
authors.initials: CH
authors.lastname: Yu
authors.affiliation: Ordered Matter Science Research Center, Southeast University, Nanjing, 211189, Jiangsu, China. zhangwen@seu.edu.cn.
authors.forename: Wen
authors.initials: W
authors.lastname: Zhang
keywords: dielectric transition; hybrid double perovskite; phase transition; switchable dielectric constant; tolerance factor