大气温度范围
碘化物
热膨胀
散射
有效质量(弹簧-质量系统)
电子迁移率
负热膨胀
材料科学
航程(航空)
凝聚态物理
热的
化学物理
化学
热力学
无机化学
物理
光电子学
光学
复合材料
冶金
量子力学
作者
Ying‐Bo Lu,Haozhi Yang,Wei‐Yan Cong,Peng Zhang,Hong Guo
摘要
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.
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