2016/09/30 by Lucy D. Whalley, Jonathan M. Skelton, Jarvist M. Frost +1 · 179 citations
Engineering · Materials Science · Physics and Astronomy · #Anharmonicity #Brillouin zone #Condensed matter physics #Coupling (piping) #Lattice (music) #Materials science #Optical properties and cooling technologies in crystalline materials #Perovskite Materials and Applications #Phonon #Phonon scattering #Physics #Quantum mechanics #Scattering #Semiconductor #Solid-state spectroscopy and crystallography #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.94.220301
published in Physical review. B./Physical review. B 94(22) (American Physical Society)
openalex created_date 2016/09/16 · arxiv created 2016/10/12 · openalex publication_date 2016/12/08 · arxiv updated 2016/12/09 · openalex updated_date 2026/08/05
Lattice vibrations in CH3NH3PbI3 are strongly interacting, with double-well instabilities present at the Brillouin zone boundary. Analysis within a first-principles lattice-dynamics framework reveals anharmonic potentials with short phonon quasiparticle lifetimes and mean free paths. The phonon behavior is distinct from the inorganic semiconductors GaAs and CdTe where three-phonon interaction strengths are three orders of magnitude smaller. The implications for the applications of hybrid halide perovskites arising from thermal conductivity, band-gap deformation, and charge-carrier scattering through electron-phonon coupling, are presented.