Eight-band k ⋅p description and material gain for selected cubic and pseudocubic perovskites
Abstract
In this work, we investigate optical properties of inorganic and organic metal halide perovskites (CsPb X 3 and MAPbX 3 with X ={Cl ,Br ,I }). We use the eight-band k ⋅p model to calculate the electronic band structures for perovskite materials of cubic and pseudocubic phase. In order to find respective parameters, the band structures of considered materials were obtained within state-of-the-art density-functional theory and used next as targets to adjust the k ⋅p bands and determine the values of k ⋅p parameters. The calculated band structures were used to obtain the material gain for bulk crystals (CsPb Cl 3, CsPb Br 3, CsPb I 3, MAPbCl 3, MAPbBr 3, and MAPbI 3), which is compared with the material gain in well-established III-V semiconductors. It was found that for these perovskites a positive material gain appears at lower carrier density than for the reference materials (Ga As and In P ). We demonstrate that from the point of view of the electronic band structure, the studied perovskites are very promising gain medium for lasers.
- Publication:
-
Physical Review Applied
- Pub Date:
- July 2024
- DOI:
- 10.1103/PhysRevApplied.22.014058
- arXiv:
- arXiv:2306.08643
- Bibcode:
- 2024PhRvP..22a4058G
- Keywords:
-
- Condensed Matter - Materials Science;
- Condensed Matter - Mesoscale and Nanoscale Physics
- E-Print:
- doi:10.1103/PhysRevApplied.22.014058