First principles calculation of uniaxial magnetic anisotropy and magnetostriction in strained CMR films

We performed first - principles relativistic full-potential linearized augmented plane wave calculations for strained tetragonal ferromagnetic La(Ba)MnO${}_3$ with an assumed experimental structure of thin strained tetragonal La${}_{0.67}$Ca${}_{0.33}$MnO${}_3$ (LCMO) films grown on SrTiO${}_3$[001] and LaAlO${}_3$[001] substrates. The calculated uniaxial magnetic anisotropy energy (MAE) values, are in good quantitative agreement with experiment for LCMO films on SrTiO${}_3$ substrate. We also analyze the applicability of linear magnetoelastic theory for describing the stain dependence of MAE, and estimate magnetostriction coefficient ${\lambda }_{001}$.