Maria Stamenova

We are combining ab initio electronic structure theory (at the level of the density functional theory) for evaluating atomically-resolved material parameters and for modelling the spin transport in the MTJs (calculating from first principles current-induced spin-transfer/orbit torques (STT/SOT), via the non-equilibrium Green’s function method), and time-domain spin dynamics simulations at the level of the classical atomistic spin dynamics (ASD) scheme (akin to the micro-magnetic simulations but with atomistic discretisation). Typically exploited for manipulating magnetic order (e.g. switching bits in STT-MRAM), the STT/SOT can also be tuned to excite and sustain magnetisation precession or oscillations accompanied by electromagnetic radiation, which for AFM/FiM oscillators can be in the THz range. Our aim is to realise a versatile and efficient multi-scale simulation technique for current-induced spin-dynamics in novel MTJs with predictive capacity to guide their design and optimisation for spintronic applications. In this effort we will be collaborating with leading theory and experimental groups. Particularly beneficial and constructive for ATMOST will be the close collaboration with the experimental activities in CRANN, where the groups of Prof. Coey and Prof. Stamenov in Trinity are currently actively researching novel THz spintronic oscillators and leading the TRANSPIRE project.