invited by Cyrille BARRETEAU
Abstract :
A realistic model of steel under extreme conditions, such as occurs in a fusion reactor, must include a proper description of non-collinear magnetism. In the presented work we take a bottom up approach. We derive a multi-orbital Hubbard Hamiltonian, which is exact for single atoms, and find its mean field approximation, suitable for a tight binding model.
Theory and Simulation of Materials; Imperial College London