Materials Today: Proceedings 2 (2015) 5528 – 5536 Available online at www.sciencedirect.com ScienceDirect 2214-7853 © 2015 Elsevier Ltd. All rights reserved. Selection and Peer-review under responsibility of the Committee Members of International Conference on Solid State Physics 2013 (ICSSP’13) doi:10.1016/j.matpr.2015.11.081 International Conference on Solid State Physics 2013 (ICSSP’13) Study of half metallicity in Mn, Fe and Mn/Fe co-doped cubic ZnS by first-principles M Saeed Akhtar a, *, Saira Riaz b , Shahzad Naseem b a Department of Chemistry, University of Manchester, Manchester, UK b Centre of Excellence in Solid State Physics, University of the Punjab, Lahore-54590, Pakistan Abstract The electronic and magnetic properties of Mn, Fe and MnFe co-doped ZnS with zinc blende structure are studied by using first-principle’s method. The ZnS doped with Mn and Fe is determined to be half-metallic, while MnFe co- doped ZnS is found to be semiconducting. Mn and Fe ions show long-range interactions that are mediated by magnetic moments induced in anions and cations of ZnS (host) semiconductor. These transition metal doped ZnS based half metallic ferromagnets seem to be good candidates for the future spintronic applications. © 2015 Elsevier Ltd. All rights reserved. Selection and Peer-review under responsibility of the Committee Members of International Conference on Solid State Physics 2013 (ICSSP’13). Keywords: Density Functional Theory (DFT); Half-metallic; Electronic properties; Magnetic properties * Corresponding author. Tel.: +92-423-5839387. E-mail address: saeed_khakhi@yahoo.com © 2015 Elsevier Ltd. All rights reserved. Selection and Peer-review under responsibility of the Committee Members of International Conference on Solid State Physics 2013 (ICSSP’13)