Yu Z G
ISP/Applied Sciences Laboratory, Washington State University, Spokane, Washington 99210, USA.
Sci Rep. 2016 Jun 24;6:28576. doi: 10.1038/srep28576.
Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.
混合无机-有机钙钛矿已被证明是用于低成本光伏应用的一种革命性材料。它们还展现出许多其他有趣的特性,包括巨大的Rashba分裂、大半径的Wannier激子以及新颖的磁光效应。要理解这些特性以及光伏的详细机制,需要一个可靠且易于获取的电子结构,在此基础上可以高效地建立输运、激子和磁光特性的模型。在这里,我们基于群论、实验和第一性原理计算构建了一个混合钙钛矿的有效质量模型。利用这个模型,我们将Rashba分裂与四方钙钛矿中的反演不对称参数联系起来,评估导带和价带的各向异性g因子,并阐明磁场对光致发光的影响及其对光激发强度的依赖性。计算了任意强磁场下激子的抗磁效应。回旋共振中在中间磁场出现的明显激子峰被归因于3D±2态,其分裂可用于估计电子和空穴有效质量的差异。