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The electronic structure of four cubic perovskites were calculated by using density functional theory. For electronic structure calculations standard generalized gradient approximation and semilocal Tran Blaha modi ed Becke Johnson potential were used. Nonlocal hybrid Heyd Scuseria Ernzerhof functional was used to obtain lattice constants and bulk moduli. Standard generalized gradient approximation results are in good agreement with previous calculations but the band gap calculated within TB-mBJ are signi cally larger for all compounds. For BiAlO3 this values are: 1.49 eV (GGA) and 2.47 eV (TB-mBJ), BiGaO3: 1.23 eV (GGA) and 2.12 (TB-mBJ), BiInO3: 0.06 eV (GGA) and 0.83 eV (TB-mBJ), BiScO3: 0.70 eV (GGA) and 1.38 eV (TB-mBJ).

Electronic Structure of the Cubic Perovskites BiMO_3 (M = Al, Ga, In, Sc)