Non-collinear itinerant magnetism: the case of Mn3Sn

Abstract
Spin-density functional theory is applied to describe non-collinear itinerant magnetism. For this the theory is formulated and a new implementation is given. It serves to perform self-consistent energy-band calculations for the compound Mn3Sn which possesses a triangular magnetic structure. Our results are discussed in detail and compared with experimental data.