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 $\mathrm{La}\left(\mathrm{Ba}\right){\mathrm{MnO}}_3$ with an assumed experimental structure of thin strained tetragonal ${\mathrm{La}}_{0.67}{\mathrm{Ca}}_{0.33}{\mathrm{MnO}}_3$ (LCMO) films grown on ${\mathrm{SrTiO}}_3\left[001\right]$ and ${\mathrm{LaAlO}}_3\left[001\right]$ substrates. The calculated uniaxial magnetic anisotropy energy (MAE) values are in good quantitative agreement with experiments for LCMO films on ${\mathrm{SrTiO}}_3$ substrate. We also analyze the applicability of linear magnetoelastic theory for describing the stain dependence of MAE, and estimate magnetostriction coefficient ${\lambda }_{001}.$