Alessia Di Vito

NM03–Tight binding simulations of tetragonal MAPbI3 domains within orthorhombic phase

Di Vito A., Pecchia A., Auf der Maur M., Di Carlo A.

Very recent photoluminescence studies, investigating the tetragonal-to-orthorhombic phase transition of MAPbI3, demonstrated the presence of residual tetragonal phase far below the transition temperature, yielding spectral signatures from quantum confined tetragonal domains. We present a theoretical model of the coexistence of tetragonal and orthorhombic MAPbI3, based on tight binding simulations. The tight binding parameters are derived […]