Fig. 5: Rationalization of the VIPER effect in FAPbBr3. | Nature Materials

Fig. 5: Rationalization of the VIPER effect in FAPbBr3.

From: Ultrafast vibrational control of organohalide perovskite optoelectronic devices using vibrationally promoted electronic resonance

Fig. 5: Rationalization of the VIPER effect in FAPbBr3.

a–c, Comparison of PC-VIPER kinetics (dashed lines) to the previously experimentally determined rotational anisotropy of the FA ion in FAPbI3 (a), the ab initio picosecond dynamics of the H–Br bond distance (b) and the time-resolved Pb–Br/H–Br cross-correlation function (mean ± standard deviation) obtained from the AIMD simulations performed elsewhere41 (c). d,e, Analysis of the bandgap dynamics obtained from the AIMD simulations described in this work: bandgap of FAPbBr3 for a representative trajectory following perturbation of the ν(N–C=N) mode (blue) (d); the power spectrum of the oscillatory component of bandgap fluctuations displayed in d (e), where the blue curve represents the average of the power spectra of the five trajectories in which the ν(N–C=N) mode is stimulated. The corresponding averaged power spectrum for the five unperturbed trajectories is given in orange.

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