First-principles calculation of uniaxial magnetic anisotropy and magnetostriction in strained colossal magnetoresistance films

We performed first-principles relativistic full-potential linearized augmented plane-wave calculations for strained tetragonal ferromagnetic La(Ba)MnO₃ with an assumed experimental structure of thin strained tetragonal La0.67Ca0.33MnO₃ (LCMO) films grown on SrTiO₃[001] and LaAlO₃[001] substrates. The calculated uniaxial magnetic anisotropy energy (MAE) values are in good quantitative agreement with experiments for LCMO films on SrTiO₃ substrate. We also analyze the applicability of linear magnetoelastic theory for describing the stain dependence of MAE, and estimate magnetostriction coefficient λ₀₀₁.