Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO)
DOI: https://doi.org/10.29363/nanoge.abxpvperopto.2018.017
Publication date: 11th December 2017
The electron and hole mobilities in MAPbI3 are of the order of a few 10cm2/Vs and in view of the effective mass estimated by band structure calculations of the order of 0.2 me the scattering time is expected to be very short of the order of a few Femto seconds. Recent ARPES measures indicate also a very short scattering time [1]. This suggest that the electronic mean-free path is short, of the order of a few unit cells. One may therefore expect the occurence of strong quantum effects on the transport.
We consider a tight-binding model, which parameters have been determined from band structure calculations [2] for the perfect structure. Our model takes into account in addition the presence of diagonal or off diagonal disorder at a level compatible with the measured mobilities. We compute the diffusion by a method that we used recently to analyze the mobility of organic semi-conductors [3]. We find that the semi-classical models (Drude like or Bloch-Boltzmann) cannot be applied to describe the hole transport in MAPI. We find that localization effects due to disorder take place in these systems at all energies in a window of 1 eV below the top of the valence band . The ratio between the mobility estimated by a semi-classical theory and the exact mobility can be of the order of 10-30 , at energies close to the top of the valence band.
We compute also the ac-conductivity in the Terahertz range. Our results compare well with recent experiments which also suggest the existence of quantum localisation [4].
[1] M. Lee et al. J.Phys.D. Appl. Phys 50 , p 26LT02 (2017)
[2] S. Boyer Richard et al. Physical Chemistry Letters ,7,p 3833 (2016)
[3] S. Fratini et al. Nature Materials 16, p 998 (2017)
[4] L.Luo et al. Nature Communications 8, p 15565 (2017)
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