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

TL;DR

This study uses first-principles calculations to analyze magnetic anisotropy and magnetostriction in strained La(Ca)MnO3 films, providing insights into their magnetic properties under strain.

Contribution

It presents a detailed first-principles analysis of uniaxial magnetic anisotropy and magnetostriction in strained manganite films, comparing results with experimental data.

Findings

Calculated MAE values agree with experiments for SrTiO3 substrates.

Estimated magnetostriction coefficient λ_{001} from first-principles data.

Analyzed the validity of linear magnetoelastic theory for these materials.

Abstract

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 $\lambda_{001}$.