title: Electronic structure of organometal halide perovskite CH3NH3BiI3and optical absorption extending to infrared region.
abstract: The electronic structure and optical absorption spectrum of organometal halide perovskite compound CH3NH3BiI3as a substituting candidate of well-concerned CH3NH3PbI3not only for environmental friendly consideration are studied using the first principles calculations. It is revealed that a Bi replacement of Pb in CH3NH3PbI3does not change seriously the band edge structure but the bandgap becomes narrow. Consequently, CH3NH3BiI3exhibits not only stronger visible light absorption than CH3NH3PbI3does but more strong absorption in the infrared region, which is however absent in CH3NH3PbI3. It is suggested that CH3NH3BiI3may be one of even more promising alternatives to CH3NH3PbI3for spectrum-broad and highly-efficient solar cells.
authors.affiliation: School of New Energy and Electronic Engineering, Yancheng Teachers University, Yancheng 224051, China.|Laboratory of Solid State Microstructures and Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
authors.forename: H X
authors.initials: HX
authors.lastname: Zhu
authors.affiliation: Laboratory of Solid State Microstructures and Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
authors.forename: J-M
authors.initials: JM
authors.lastname: Liu