Photoluminescent-dielectric duple switch in a perovskite-type high-temperature phase transition compound: [(CH 3 ) 3 PCH 2 OCH 3 ][PbBr 3 ].

A bistable optical-electrical duple switch belongs to a class of highly satisfying intelligent materials that can transform optical and electrical responses simultaneously in one device. A perovskite-type high-temperature phase transition compound with one-dimensional chain-like crystal structure, ([(CH3 )3 PCH2 OCH3 ][PbBr3 ], 1), displays remarkable bistable photoluminescent-dielectric duple switching behaviors. The noteworthy order-disorder transition of the phosphonium cation and the motions of anions contribute to the phase transition, leading to the space group P21 /c at a low temperature phase to C2/c at a high temperature phase. 1 exhibits a prominent step-like dielectric anomaly at 401.0 K and demonstrates novel optical properties with a band gap of 3.54 eV. The photoluminescence intensity suddenly declines from 398 K to 408 K, which may be attributed to the occurrence of phase transition. The electron cloud distributions of the frontier orbital in compound 1 have been calculated using a DFT program.