L10 FePt/Fe

[Jung-Wei Liao]

Dear all

I am writing in connection with the calculation of FePt/Fe bilayers.

At the moment I set the structures of these two layers the same as FCC, but as far as I know the layer structure for FePt is FCT, and that for Fe is BCC. Would that cause any problem for the calculation results? Thank you for your reply.

Looking forward to hearing from you.

Yours faithfully

Jung-Wei

[richard....@gmail.com]

In the generic model a single unit cell is required otherwise the spin Hamiltonian is poorly defined (different numbers of neighbours at the interface). Unless dealing with surface anisotropy (Neel model), the crystal structure doesn't have too much of an effect on the calculated properties. The only thing you have to be careful of is the renormalisation of the spin moments, exchange energies and anisotropies for different lattice structures.

Richard.