Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

• Main Authors: Yousaf, Masood, Dalhatu, S. A., Murtaza, G., Khenata, R., Sajjad, M., Musa, A., Aliabad, H. A. Rahnamaye, Saeed, M. A.
• Format: Article
• Published: Elsevier Ltd 2015
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/id/eprint/58734/; http://dx.doi.org/10.1016/j.jallcom.2014.11.104

We report the structural, electronic and optical properties of the thiospinels XIn2S4 (X = Cd, Mg), using highly accurate all-electron full potential linearized augmented plane wave plus local orbital method. In order to calculate the exchange and correlation energies, the method is coupled with mod...