Comparative studies on magnetic properties of Mn/Fe codoped ZnS nanowires

► The doped system favors ferrimagnetic configuration both with and without surface dangling bonds. ► The doped system with S vacancy favors stable ferromagnetic states at negative charge state. ► With additional C codoping, the doped system tends to stabilize in a ferromagnetic configuration. ► Large energy difference indicates that room temperature ferromagnetism could be expected.