Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3

The all electrons full potential linearized augmented plane waves (FP-LAPW) method with GGA+U is used to study SrTbO3 perovskite in cubic and orthorhombic phases. The structural parameters and ground state magnetic properties are found consistent with the experimental results. The electronic band structures and density of states demonstrate that SrTbO3 is a wide band gap semiconductor in both phases. The magnetic studies of the material show that the nature of the compound is G-type anti-ferromagnetic. The calculated magnetic moment of Tb+4 is found consistent with the experiments. Furthermore, the optical properties demonstrate that the optical gap of the material is 1.8 eV, which lies in the visible region of the electromagnetic spectrum and hence the compound can be used in optoelectronic devices. (C) 2013 Elsevier B.V. All rights reserved.