Special Seminar
Name: Prof. Olle Eriksson
Affiliation: Department of Physics and Astronomy; Materials Theory, Uppsala University
Title: Electronic structure theory and inter atomic exchange, leading up to atomistic spin dynamics
Date & Time: Friday, 29th November at 4:00 p.m.
Venue: Rajarshi Bhattacharya Memorial Lecture Hall, Chemical Sciences Building
Abstract:
In this seminar, the basic aspects of electronic structure theory will be reviewed both basic ingredients of density functional theory and its implementation, as well as numerical examples of magnetic information normally extracted from this theory. In addition it will demonstrated how this theory can be used to extract interatomic exchange interactions, that allows for a multi-scale description of magnetic materials. Several examples of interatomic exchange will be presented and it is outlined how this is an essential ingredient that enables atomistic spin dynamics (ASD) and atomistic spin-lattice dynamics (ASLD) simulations.