The phase diagram of a mixed halide (Br, I) hybrid perovskite obtained by synchrotron X-ray diffraction

Abstract

By using synchrotron X-ray powder diffraction, the temperature dependent phase diagram of the hybrid perovskite tri-halide compounds, methyl ammonium lead iodide (MAPbI₃, MA⁺ = CH₃NH₃⁺) and methyl ammonium lead bromide (MAPbBr₃), as well as of their solid solutions, has been established. The existence of a large miscibility gap between 0.29 ≤ x ≤ 0.92 (±0.02) for the MAPb(I_1−xBr_x)₃ solid solution has been proven. A systematic study of the lattice parameters for the solid solution series at room temperature revealed distinct deviations from Vegard's law. Furthermore, temperature dependent measurements showed that a strong temperature dependency of lattice parameters from the composition is present for iodine rich compositions. In contrast, the bromine rich compositions show an unusually low dependency of the phase transition temperature from the degree of substitution.