Ab initio analysis of the optoelectronic properties of single perovskites CsPbX3 with (X=Br, I)

Abstract

In this comparative study between two simple perovskites, we focus on the study of the
optoelectronic characteristics of CsPbX3(X=Br, I) which allows a view in their applications in Led, Solar
cell and for Imagery applications too.
Using the FPLAPW method implemented in the wien2k code give us the electronic and optical
characteristics of the simples perovskites CsPbI3 and CsPbBr3, this by calculating the states of bands struct
and density of state. Comparison between results of characteristics for this two simple perovskites will
allow, through their gap, to show the development of the yield of singljonction solar cell. Allowing to
observe the valence, conduction bands and to note the gap of CsPbI3, CsPbBr3 essential factor for thin
films of solar cell.
Also using a FP-LAPW method implemented in the wien2k code give us optical characteristics of the
simple perovskites CsPbI3 and CsPbBr3. the study of optical properties and indices together with the results
of electronic properties, in particular gap, permits through absorption, reflectivity and conduction
characteristics to determine the different applications of these two materials whether in imagery or the solar
cell fields.