Is it possible to have total Magnetocrystalline anisotropy energy (MAE) in-plane whereas the individual atomic sites MAE are out-plane?

16 September 2019 1 2K Report

Dear RG members,

I am calculating the MAE for 111 surface Slab of Fe2CoAl by following the examples in Quantum Espresso.I have found all the atomic sites MAE for Fe and Co sites in Al-terminal are out-plane. However, the total MAE for the same surface Slab of Fe2CoAl is in-plane.

Is it possible to have total MAE in-plane where individual atoms MAE out-plane?

F. El Haj Hassan

Hello,

Unfortunately, I have not any experience with type of calculation.

Best wishes

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