Magnetic anisotropy of FePt: effect of lattice distortion and chemical disorder

We perform first principles calculations of the magnetocrystalline anisotropy energy in the five L10 FePt samples studied experimentally by Ding et al. [J. App. Phys. 97, 10H303 (2005)]. The effect of temperature-induced spin fluctuations is estimated by scaling the MAE down according to previous Langevin dynamics simulations. Including chemical disorder as given in experiment, the experimental correlation between MAE and lattice mismatch is qualitatively well reproduced. Moreover we determine the chemical order parameters that reproduce exactly the experimental MAE of each sample. We conclude that the MAE is determined by the chemical disorder rather than by lattice distortion.