The Electronic Structure and Optical Properties of Co,C Co-Doped AlN Nanosheet

The electronic structure, band structure and optical properties of Co,C co-doped AlN are investigated by first-principles calculations. The calculated results show that some impurity bands emerge near the Fermi level, and the degree of hybridization becomes stronger for Co 3d states and Al 3s states. Which indicates that the electron transition become more active from valence band to conduction band and the electrical conductivity is enhanced. Compared with intrinsic AlN, the optical properties of co-doped AlN improves a lot. There emerge some new peaks in the low energy region and the absorption coefficient, reflectivity and refractive index has large improvement in visible and infrared range.