Effective mass of heavy, light, and spin split-off band electron and hole g-factor in cubic perovskite materials

Analytical expressions for the effective mass of heavy, light, and spin split-off electrons are obtained by diagonalizing the k⋅p Hamiltonian for cubic perovskite crystal structures and used to calculate these in nine perovskite materials. An expression for the effective hole g-factor is also derived and calculated in these perovskites. The calculated effective mass of heavy electrons ranges from 1.619 m0 to 0.201 m0, of light electrons from 0.357 m0 to 0.146 m0, and of spin split-off electrons from 0.584 m0 to 0.169 m0. It is found that Cl- and Pb-based perovskite materials have larger heavy, light, and spin split-off electron effective masses. It is also found that the effective g-factor increases with the atomic size, from Cl to I, for the series CsSnX3(X=Cl,Br,I).