Journal
PHYSICAL REVIEW B
Volume 94, Issue 22, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.94.220301
Keywords
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Funding
- EPSRC [EP/M009580/1, EP/K016288/1, EP/L01551X/1, EP/K004956/1, EP/L000202]
- Royal Society
- ERC [277757]
- IT Center for Science (CSC), Finland, via the Partnership for Advanced Computing in Europe (PRACE) Project [13DECI0317/IsoSwitch]
- Engineering and Physical Sciences Research Council [EP/K004956/1, EP/K016288/1, EP/L000202/1, EP/M009580/1] Funding Source: researchfish
- EPSRC [EP/K004956/1, EP/L000202/1, EP/K016288/1, EP/M009580/1] Funding Source: UKRI
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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.
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