preMAGNE

First-principles study for multiferroics (2018-2019) The project preMAGNE is devoted to the study of novel lead-free and environmentally friendly multiferroics based on Bi-containing oxygen-octahedral systems in the framework of the density functional theory (DFT). The principal goals of the project is to theoretically obtain information about the electronic structure and magnetic properties of multiferroic distorted perovskites such as BiScxFe1-xO3. The central challenge consists in the computationally demanding DFT computations required in the state of the art, where the Norwegian HPC infrastructure plays a key part.