Fig. 6.

Shortening of disorder potential and band-edge distributions in CsPbI₃. a Autocorrelation function of the disorder potential, where the thin curves show sample snapshots taken along the MD trajectory, and the thick curves shows their average. The disorder potential in CsPbI₃ is also confined to very short ranges. b Autocorrelation function of the disorder potential in CsPbI₃ corresponding to the three equivalent scenarios shown in Fig. 5a, where the thin curves show sample snapshots taken along the MD trajectory (T = 425 K), and the thick curves their averages. Also in CsPbI₃ the correlation length in the disorder potential is dynamically shortened by the Cs and especially the I displacements. c Normalized histograms of the instantaneous VBM and CBM energies calculated equivalently to the data shown Fig. 5b. In CsPbI₃ the spread in the CBM energy distribution due to displaced Pb atoms is also reduced by the presence of the other displacements in the material