Piezoelectric scattering limited mobility of hybrid organic-inorganic perovskites CH3NH3PbI3.
Carrier mobility is one of the most important parameters for semiconducting materials and their use in optoelectronic devices. Here we report a systematic first principles analysis of the acoustic phonon scattering mechanism that limits the mobility of CH3NH3PbI3(MAPbI3) perovskites. Due to the unique hybrid organic-inorganic structure, the mechanical, electronic and transport properties are dominated by the same factor, i.e. the weak interatomic bond and the easy rotation of methylammonium (MA) molecules under strain. Both factors make MAPbI3soft. Rotation of MA molecule induces a transverse shift between Pb and I atoms, resulting in a very low deformation potential and a strong piezoelectricity in MAPbI3. Hence the carrier mobility of pristine MAPbI3is limited by the piezoelectric scattering, which is consistent to the form of its temperature dependence. Our calculations suggest that in the pristine limit, a high mobility of about several thousand cm2V-1S-1is expected for MAPbI3.
School of Space Science and Physics, Shandong University, Weihai 264209, China.|Department of Physics, McGill University, Montreal, QC H3A 2T8, Canada.
Ying-Bo
YB
Lu
Department of Physics, McGill University, Montreal, QC H3A 2T8, Canada.
Xianghua
X
Kong
Department of Physics, McGill University, Montreal, QC H3A 2T8, Canada.
Xiaobin
X
Chen
Department of Physics, McGill University, Montreal, QC H3A 2T8, Canada.
David G
DG
Cooke
Department of Physics, McGill University, Montreal, QC H3A 2T8, Canada.|School of Physics and Energy, Shenzhen University, Shenzhen 518060, China.
Hong
H
Guo