Occupation and magnetic property of Cr additive in L1_0 FePt: First-principle study

摘要

The preference site and magnetic property of doped Cr atom in Ll_0 FePt alloy are investigated by the first-principles calculations. Due to the energy of Cr located in Fe and Pt sublattice are -0.15 and 0.48 eV, respectively, the Cr atom occupying Fe site is more energetic favorable than in Pt site in Ll_0 FePt alloy. The calculated saturation magnetizations for Cr additive replacing Fe or Pt atom in Ll_0 FePt are 959 or 989 emu/cm3, respectively. The results are lower than that of Ll_0 FePt (1085emu/cm3). The additive of Cr in Ll_0 FePt will reduce the saturation magnetization.