Dynamik hos Material

Tidsperiod: 2014-07-01 till 2023-12-31

Projektledare: Olle Eriksson

Finansiär: Vetenskapsrådet

Bidragstyp: Projektbidrag

Budget: 50 000 000 SEK

We intend to develop our expertise in atomistic spin-dynamics simulations, coupled to ab-initio, electronic structure theory and the evaluation of interatomic exchange, to explore theoretically, skyrmions and magnons of materials, with aim to develop concepts to perform logical operations. The recent development of topological states in matter is particularly relevant for this investigation, since e.g. skyrmionic states of magnets may provide an interesting avenue for devices. Among the materials discussed so far for skyrmionic and magnonic applications, oxides and complex transition metal compounds are commonly discussed, where electron correlations beyond the traditional one-electron theory are expected. Hence, an important aspect for developing theory of skyrmionic and magnonic devices, is the ability to correctly describe electron correlations, e.g. via dynamical mean field theory (DMFT). On the basis of DMFT we will formulate a multiple scattering theory of a correlated electronic structure, in order to develop a method that, ab-initio, calculates magnetic pair-exchange interactions of correlated electron systems. We will also further develop DMFT, in particular as regards the so called impurity solver, where higher accuracy and improved efficiency are crucial for this theory to have significant impact in materials science.