Strongly Anharmonic Organic Cation Vibrations in Hybrid Lead Halide Perovskite CH3NH3PbI3 on Electronic Ground State

التفاصيل البيبلوغرافية
العنوان: Strongly Anharmonic Organic Cation Vibrations in Hybrid Lead Halide Perovskite CH3NH3PbI3 on Electronic Ground State
المؤلفون: Ishioka, Kunie, Tadano, Terumasa, Yanagida, Masatoshi, Shirai, Yasuhiro, Miyano, Kenjiro
المصدر: Phys. Rev. Mater. 5, 105402 (2021)
سنة النشر: 2019
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Materials Science
الوصف: Ultrafast vibrational dynamics of inorganic-organic hybrid lead halide perovskite CH3NH3PbI$ in the room-temperature tetragonal phase is investigated under moderate photoexcitation slightly below the band gap. Time-resolved optical Kerr effect signal exhibits periodic modulations due to the libration and twisting of the methylammonium molecule at 4 and 8 THz, in addition to the inorganic sublattice deformation at 1.2 THz. These oscillations are heavily damped, and their frequencies exhibit blueshifts with increasing pump density, contrary to the expectation from conventional laser heating. Our ab initio lattice dynamics simulations reveal strongly anharmonic vibrational potentials for the zone-center optical phonon modes, and thereby confirm the anharmonicity to be the origin of the experimentally observed frequency blueshifts.
Comment: 8 pages, 5 figures
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevMaterials.5.105402
URL الوصول: http://arxiv.org/abs/1911.10711
رقم الأكسشن: edsarx.1911.10711
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevMaterials.5.105402