The Effect of the Size and Electronic Factor on Occupation and Magnetic Property of Co Addition in L10 FePt Alloy

摘要

The size and the electronic factor are used to analyze the occupation of doped Co atom in L10 FePt alloy as well as its influence on crystal structure and magnetic property. The Co atom located in Fe sublattice site is determined by the variance of the calculated structure and the doping energy results investigated by the first-principles calculations. The charge-density difference contour plot and Bader charge analysis can quantitatively distinguish the effects of the size and the electronic factor on physical properties of the doping alloy. The effect of the electronic factor on the doping energy is more dominant than that of the size factor. The size factor almost has no effect on saturation magnetization.