Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites
Matan Menahem, Zhenbang Dai, Sigalit Aharon, Rituraj Sharma, Maor Asher, Yael Diskin‐Posner, Roman Korobko, Andrew M. Rappe, Omer Yaffe
Abstract
(274 K) and show that it involves relaxation of octahedral tilting coupled to anharmonic thermal fluctuations. These anharmonic fluctuations are important because they induce charge carrier localization and affect the optoelectronic performance of these materials.
Topics & Concepts
AnharmonicityChemical physicsChemistryPhononOctahedronRelaxation (psychology)Ab initioCondensed matter physicsHalideMolecular vibrationSpectroscopyRaman spectroscopyCrystallographyCrystal structurePhysicsOpticsQuantum mechanicsInorganic chemistryOrganic chemistryPsychologySocial psychologyPerovskite Materials and Applications2D Materials and ApplicationsSolid-state spectroscopy and crystallography