Design of novel, rare earth free/lean permanent magnets with high uniaxial anisotropy

Dnr:

SNIC 2017/11-51

Type:

SNAC Large

Principal Investigator:

Heike Herper

Affiliation:

Uppsala universitet

Start Date:

2017-07-01

End Date:

2018-07-01

Primary Classification:

10304: Den kondenserade materiens fysik

Secondary Classification:

10403: Materialkemi

Webpage:

Allocation

Abstract

The subject of this proposal is to identify and analyse new magnetic phases by computational materials design. The project consists of several sub-tasks regarding structural optimisation, magnetic characterization, and the use of genetic algorithms to seek out new phases. Different theoretical methods based on density functional theory such as VASP QUANTUM ESPRESSO, and the in-house full potential LMTO code RSPt will be applied to solve the different tasks. The research within this proposal is embedded in a recently granted EU project and several users will participate in the calculations.