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We investigate the structural, electronic and optical properties of mixedbromide-iodide lead perovskite solar cell CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$by means of the virtual crystal approximation (VCA) within density functionaltheory (DFT). Optimizing the atomic positions and lattice parameters increasingthe bromide content $x$ from 0.0 to 1.0, we fit the calculated latticeparameter and energy band gap to the linear and quadratic function of Brcontent, respectively, which are in good agreement with the experiment,respecting the Vegard's law. With the calculated exciton binding energy andlight absorption coefficient, we make sure that VCA gives consistent resultswith the experiment, and the mixed halide perovskites are suitable forgenerating the charge carriers by light absorption and conducting the carrierseasily due to their strong photon absorption coefficient, low exciton bindignenergy, and high carrier mobility at low Br contents. Furthermore analyzing thebonding lengths between Pb and X (I$_{1-x}$Br$_x$: virtual atom) as well as Cand N, we stress that the stability of perovskite solar cell is definitelyimproved at $x$=0.2.

physical review. b./physical review. b

Influence of halide composition on the structural, electronic, and  optical properties of mixed CH$_3$NH$_3$Pb(I$_{1-x}$Br$_x$)$_3$ perovskites  calculated using the virtual crystal approximation method