Magnetocrystalline anisotropy at Heusler alloy$|$MgO interfaces have been studied using first principles calculations. It is found that Co terminated Co$_{ 2}$FeAl$|$MgO interfaces show perpendicular magnetic anisotropy up to 1.31 mJ/m$^2$, while those with FeAl termination exhibit in-plane magnetic anisotropy. Atomic layer resolved analysis indicates that the origin of perpendicular magnetic anisotropy in Co$_{ 2}$FeAl$|$MgO interfaces can be attributed to the out-of-plane orbital contributions of interfacial Co atoms. At the same time, Co$_{ 2}$MnGe and Co$_{ 2}$MnSi interfaced with MgO tend to favor in-plane magnetic anisotropy for all terminations.
Categories: cond-mat.mtrl-sci cond-mat.mes-hall