THEORETICAL STUDY OF SURFACE FERROMAGNETISM m-GaN DOPED WITH Mn

Abstract

First principles calculations were performed to study the structural, electronic and magnetic properties of the surface of m-GaN doped with manganese (Mn). This doping generated total magnetic moment 4 µB due to interaction of the 2p-N and Mn 3d-states. It was found that doping of Mn is responsible for 82 % of the total magnetization of the surface. In addition, doping generated structural changes in the surface which were evident in the distances between the atomic layers “d12, d23, d34, d45”. The surface showed metal and semiconductor properties simultaneously. These materials are called “half-metalic” depending on the spin polarization. Substitutional position of the most stable energy doping was determined, and was observed that doping generated less structural changes as that shown by the changes in the distance between atomic layers “∆d12, ∆d23, ∆d34, ∆d45”.

Keywords

• Densidad de estados
• magnetismo superficial
• nitruro de galio
• teoría del funcional densidad.