2 papers
cond-mat.mtrl-sci2025
Elucidating the High-Pressure Phases of MAPbBr3 Using a Machine Learning Force Field
Rashid Rafeek V Valappil, Sayan Maity, Varadharajan Srinivasan
High-pressure phases of the hybrid perovskite MAPbBr3 have been investigated in detail using a novel machine learning force field (MLFF). MLFF simulations successfully reproduce th…
cond-mat.mtrl-sci2024
Role of host/guest coupling in stabilizing the phases of the over-tolerant hybrid perovskite MHyPbX3
Pradhi Srivastava, Sayan Maity, Varadharajan Srinivasan
exhibits an interesting temperature-induced phase diagram transitioning from monoclinic (Phase-II) to orthorhombic (Phase-I) and eventually to the high-temperat…