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This study focused on how the local structures in pure [N(CH 3 ) 4 ] 2 ZnBr 4  crystal are affected by the partial replacement of Zn 2+  ions with Cu 2+  ions. The structures and phase transition temperatures T C  of perovskite-type [N(CH 3 ) 4 ] 2 Zn 1- x  Cu  x  Br 4  ( x  = 0, 0.5, 0.7, and 1) mixed crystals were almost unchanged by the partial doping of Cu 2+  ions. The environments for the local structures of [N(CH 3 ) 4 ] 2 Zn 1- x  Cu  x  Br 4  mixed systems were studied according to differences in the chemical shifts of the  1 H magic angle spinning (MAS) NMR,  13 C cross-polarization (CP)/MAS NMR, and  14 N NMR spectra. The  1 H and  13 C NMR results showed that the local environments of  1 H and  13 C nuclei near T C  are not affected by substituting Zn 2+  ions with Cu 2+  ions, whereas the  14 N NMR results showed that the local environment is affected near T C . Consequently, the main indicators of the phase transition in [N(CH 3 ) 4 ] 2 Zn 1- x  Cu  x  Br 4  are related to the ferroelastic characteristics with different orientations.

scientific reports

Effect on Local Structure and Phase Transition of Perovskite-Type [N(CH3)4]2Zn1-xCuxBr4 (x = 0, 0.5, 0.7, and 1) Crystals with the Various Doping of Cu2+ Ions