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Temperature dependence of the effective mass of the hybrid organic-inorganic perovskites CH3NH3PbI3

Authors :
Haozhi Yang
Wei-Yan Cong
Hong Guo
Peng Zhang
Ying-Bo Lu
Source :
Applied Physics Letters. 111:253902
Publication Year :
2017
Publisher :
AIP Publishing, 2017.

Abstract

The material of methylammonium lead iodide, CH3NH3PbI3 (MAPbI3), has shown significant promise in solar cell applications. A way to infer the microscopic scattering mechanism(s) in MAPbI3 is through the measured temperature dependence of carrier mobility. To this end, how does the carrier effective mass depend on temperature, m* = m*(T), is a useful information since the mobility is a function of m*. By atomistic first principles, we report the calculated m*(T) due to the thermal expansion of MAPbI3 materials, in the experimentally relevant range of 130 K to room temperature. The calculated results suggest m* = m*(T) to be linear in T. The increase of m* versus temperature is predominantly due to the expansion of the longitudinal atomic spacing that weakens the s/p hybridization between the I/Pb atoms.

Details

ISSN :
10773118 and 00036951
Volume :
111
Database :
OpenAIRE
Journal :
Applied Physics Letters
Accession number :
edsair.doi...........b472e4876e1ea91b67693913aefdc6b8
Full Text :
https://doi.org/10.1063/1.5008546