Whalley, Lucy, Skelton, Jonathan M., Frost, Jarvist M. and Walsh, Aron (2016) Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory. Physical Review B, 94 (22). 220301(R). ISSN 2469-9950
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Abstract
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.
| Item Type: | Article |
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| Subjects: | F200 Materials Science F300 Physics |
| Department: | Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering |
| Depositing User: | Elena Carlaw |
| Date Deposited: | 23 Jun 2020 11:17 |
| Last Modified: | 31 Jul 2021 11:32 |
| URI: | http://nrl.northumbria.ac.uk/id/eprint/43552 |
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