Auf der Maur M.

Department of Electronics Engineering, University of Rome Tor Vergata, Via del Politecnico 1, 00133 Rome, Italy


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 […]

NM05–Modelling of mixed-phase MAPbI3

Nonni E., Rossi D., Auf der Maur M., Di Carlo A.

Both x-ray diffraction (XRD) and photoluminescence (PL) characterizations of methylammonium lead iodide perovskite (MAPbI3) reveal signatures of a coexistence of the tetragonal and orthorhombic phases over a wide range of temperatures, suggesting that the phase transition does not happen sharply at a temperature of 164 K as reported in literature. To understand the causes of […]