Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2005 Jul 15|