Study on magnetics and optical properties of transitionmetal doped SnO_2 superlattice

The density of state(DOS),band structure,optical coefficient of n-layers transition metal Cr doped SnO2superlattice were calculated using first-principles of density functional theory and full potential linearized augmented plane wave method(n=1,2,3).Generalized gradient approximations(GGA)were used for handling correlation energy.The result show that doped SnO2are half-metallic.The magnetic moment and electroconductivity will be enhanced with the increase of n.The magnetic moment was contributed mainly by Cr3d states.The doping-Cr makes the DOS of oxygen producing spin polarization.In 0-1.8eV,the position of first absorption peak will move to higher energy region with the increase of n.In 1.8-7.0eV,the magnitude of the peak was augmented with the increase of n.In 7.0-17eV,the magnitude of the peak was reductive with the increase of n.