First-principles LSDF study of weak ferromagnetism in Fe2O3
Institut für Festkörperphysik, Technische Hochschule - D-64289
Accepted: 3 January 1996
We report results of calculations that explain in the itinerant electron picture weak ferromagnetism in hematite, . We use the local approximation to spin-density functional theory and the ASW method incorporating spin-orbit coupling (SOC) and non-collinear moment arrangements. By a detailed symmetry analysis we show how the relativistic effect of SOC and the particular crystal symmetry of cooperate to lead to a non-collinear magnetic structure and thus to weak ferromagnetism.
PACS: 71.25.Cx – Developments in band-structure calculation techniques / 75.10.Lp – Band and itinerant models / 75.50.-y – Studies of specific magnetic materials
© EDP Sciences, 1996