-A A +A
The study of MAPbI3 phase transitions based on temperature-dependent optical spectroscopy has recently gained a huge attention. Photoluminescence (PL) investigations of the tetragonal–orthorhombic transition suggest that tetragonal nanodomains are present below the transition temperature and signatures associated with tetragonal segregations are observed. We have studied the impact of phase nanosegregation across the orthorhombic–tetragonal phase transition of MAPbI3 on the system’s properties employing a tight binding (TB) approach. The particle swarm optimization has been used to obtain a consistent set of TB parameters, where the target properties of the system have been derived by first-principles calculations. The theoretical results have been compared with the measured PL spectra for a temperature range going from 10 to 100 K. Our model effectively captures the carriers’ localization …
American Chemical Society
Publication date: 
26 Nov 2021

Alessia Di Vito, Alessandro Pecchia, Matthias Auf der Maur, Valerio Campanari, Faustino Martelli, Aldo Di Carlo

Biblio References: 
Volume: 12 Issue: 48 Pages: 11659-11665
The journal of physical chemistry letters