Aini Ave. 299/1
Dushanbe, 734063
Tajikistan
http://phti.tj/
S.U.Umarov Physical-Technical Institute of the National Academy of Sciences of Tajikistan
CsPbBr3; density functional theory; electronic properties; band gap optical properties; GGA; mBJ; solar cell.
DFT, VASР, Cu2NiXY4, mBJ+U, kesterite, electronic structure, band gap, Mn placement