First-principle study on magnetic properties of Mn/Fe codoped ZnS

► Mn/Fe codoped ZnS system tends to stabilize in a ferrimagnetic configuration with or without defects. ► By additional C codoping, the doped system tends to stabilize in a ferromagnetic configuration. ► Energy difference between ferrimagnetic and ferromagnetic states is 114 meV. ► This indicates room temperature ferromagnetism can be likely in such a system.