Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba₅M₄O₁₅(M = Ta, Nb): a DFT study using HSE06

Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba₅M₄O₁₅(M = Ta, Nb) as UV-light-responsive photocatalysts.

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