Insights on the opto-electronic structure of the inorganic mixed halide perovskites γ-CsPb(I1-xBrx)3 with low symmetry black phase

Computational study of the fundamental properties of Zr-based chalcogenide perovskites for optoelectronics

“…Such strategy has been used for halide perovskites to tune the band gap and improve the stability in the past years. [56][57][58][59] The predicted band gap values are 1.98-1.40 eV for CAZrS 3Àx Se x , 1.99-1.46 eV for SrZrS 3Àx Se x , and 1.79-1.34 eV for BAZrS 3Àx Se x , respectively. The band gap reduction is about 0.4-0.6 eV for AZrS 3 to AZrSe 3 .…”

Effects of Bromine Substitution and Vacancy Defects on the Structural and Electronic Properties of Black Orthorhombic CsPbI3 Perovskite

“…CsPbI 3 9.12 12.78 8.85 1033.13 3.278 -0.0979689 1.887 8.86 [37] 12.48 8.57 1.89 [4] 9.13 [28] 12.64 8.66 1.83 [43] CsPb(I 0.75 Br 0.25 ) 3 8.56 [34] 12.18 8.51 2.16 [44] 8.53 [45] 11.97 8.26 2.29 [40] of Pb-I (3.225À3.278 Å) is always longer than that of Pb-Br (3.053À3.091 Å), as shown in Figure 2a. Meanwhile, the γ-CsPb(I 1Àx Br x ) 3 volume decreases with the increasing Br content (Figure 2b).…”

Inorganic novel cubic halide perovskite Sr3AsI3: Strain-activated electronic and optical properties

“…In a detailed investigation of CsPbI 3 under strain, Jing et al [ 42 ] found that by varying the strain insertion in the range of 5% to 5%, the bandgap of CsPbI 3 can be adjusted between 1.03 and 2.14 eV. Mohamed Abdelilah Fadla et al [ 43 ] investigated how the iodine partial replacement greatly increases the material stability in CsPbI 3-x Br x perovskites. According to A. K. Hossain et al [ 44 ], the cubic CsSnCl 3 , a perovskite of inorganic characteristics, can convert a semiconductor into a metal substance with excellent optical and electronic properties under compressive strain.…”