Structural, electrical, optical properties and stability of Cs2InBr5-yXy·H2O (X = Cl, I, y = 0, 1, 2, 3, 4, 5) perovskites: the first principles investigation

A DFT study of optoelectronic, elastic and thermo-electric properties of the double perovskites Rb2SeX6 (X=Br,Cl)

“…Using GGA-PBE, the Poisson ratio values of Rb 2 SeBr 6 and Rb 2 SeBr 6 are greater than 0.26, suggesting that they are ductile in nature. This is consistent with the results reported by [18]. The use of GGA-PBEsol, however, suggest that the two materials are brittle in nature, since the Poisson ratio values are ≤ 0.26.…”

“…A material with a Poisson's ratio less than 0.26 is said to be brittle, whereas a material with a Poisson's ratio more than 0.26 is a ductile material. The result of Rb 2 SeCl 6 is comparable with result reported by [18]. Using GGA-PBE, the Poisson ratio values of Rb 2 SeBr 6 and Rb 2 SeBr 6 are greater than 0.26, suggesting that they are ductile in nature.…”

“…The amplitude of incident waves and reflected waves is used to calculate the reflection coefficient R(ω) [18]. The reflectivity of a semiconductor material estimates the quantity of incident light that falls on it [49].…”

“…Their electronic structure calculation shows that these double perovskite materials are indirect band gap semiconductors. As suggested by [18], A 2 SeCl 6 and A 2 SeBr 6 can be used to make a variety of optoelectronic devices such as photodetectors, solar cells, light-emitting diodes, and so on.…”

Evolution of fractal patterns in lead-free zero-dimensional perovskite Cs2InBr5(H2O)

“…Therefore, developing a highly promising green chemical route remains an unexplored frontier and relatively limited. [31][32][33] The growth of Cs 2 InBr 5 (H 2 O) single-crystal or micro-crystals in the presence of HBr has been previously reported. It is important to note that the design and growth of Cs 2 InBr 5 (H 2 O) crystals is still in its initial stages.…”