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Temperature dependence of the effective mass of the hybrid organic-inorganic perovskites CH3NH3PbI3
- 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.
- Subjects :
- chemistry.chemical_classification
Electron mobility
Materials science
Physics and Astronomy (miscellaneous)
Scattering
Iodide
Analytical chemistry
02 engineering and technology
021001 nanoscience & nanotechnology
7. Clean energy
01 natural sciences
Thermal expansion
law.invention
Effective mass (solid-state physics)
chemistry
Ab initio quantum chemistry methods
law
0103 physical sciences
Solar cell
010306 general physics
0210 nano-technology
Atomic spacing
Subjects
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