Metal cation s lone-pairs increase octahedral tilting instabilities in halide perovskites
Lingyuan Gao, Lena Yadgarov, Rituraj Sharma, Roman Korobko, Kyle M. McCall, Douglas H. Fabini, Constantinos C. Stoumpos, Mercouri G. Kanatzidis, Andrew M. Rappe, Omer Yaffe
Abstract
Lone-pair covalency can faciliate dynamic tilting of MBr<sub>6</sub> octahedra and increase dynamic structural instabilities.
Topics & Concepts
OctahedronLone pairHalideMetalMaterials scienceCrystallographyChemistryInorganic chemistryCrystal structureMetallurgyMoleculeOrganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyFerroelectric and Piezoelectric Materials