Octahedral tilt-driven phase transitions in BaZrS3 chalcogenide perovskite

P Kayastha, E Fransson, P Erhart… - arxiv preprint arxiv …, 2024 - arxiv.org
Chalcogenide perovskites are lead-free materials for potential photovoltaic or thermoelectric
applications. BaZrS $ _3 $ is the most studied member of this family due to its superior …