Att hitta nya permanentmagneter med teori

Time period: 2018-01-01 to 2021-12-31

Project leader: Olle Eriksson

Funder: Swedish Energy Agency

Type of award: Project grant

Total fundning: 5 200 000 SEK

The uncertainty in availability of rare-earth elements is a serious threat to green technologies used in the transport sector and for the generation of electrical energy. Hence one must identify replacement materials to the conventional rare-earth permanent magnets (effectively the Nd-Fe-B magnets). The most challenging aspect is to identify materials with a sufficiently large magneto crystalline anisotropy, large saturation moment and high ordering temperature. The magneto crystalline anisotropy is governed by relativistic quantum mechanics, albeit in a highly complex and unpredictable way. Our work in this field has elucidated several key aspects that are important, and we aim to utilize this knowledge to perform relativistic electronic structure theory, coupled to a materials genome approach, to identify materials with sufficiently large magneto crystalline anisotropy (larger than 1 MJ/m3). Theory is in fact suitable for accurate determination not only of the magneto crystalline anisotropy, but also the saturation magnetization and the ordering temperature. Hence, electronic structure theory, coupled to methods of statistical physics, are ideal to identify environmentally friendly permanent magnets, that can be used as alternatives to the rare-earth permanent magnets. If this project becomes successful, we have eliminated a key problem for the realization of efficient and energy relevant technologies for the transport sector and for the generation of electrical energy.