ELECTRONIC AND MAGNETIC PROPERTIES OF (Mn, C)-CODOPED GaN

First-principle calculations have been performed to systematically investigate the electronic and magnetic properties of Mn / C -codoped GaN . The formation energy of five different configurations is studied and the ground state is demonstrated to be ferromagnetic ordering. The ferromagnetic stabilization is largely due to the strong p–d hybridization among Mn 3d, C 3d and N 2p states. Our calculations show that the GaN codoped with Mn and C has a stable FM ground state with a high Curie temperature. These results are positive to design the dilute magnetic semiconductors with codopants in spintronics applications.