| Issue |
Europhys. Lett.
Volume 33, Number 6, February III 1996
|
|
|---|---|---|
| Page(s) | 447 - 452 | |
| Section | Condensed matter: electronic structure, electrical, magnetic and optical properties | |
| DOI | https://doi.org/10.1209/epl/i1996-00360-9 | |
| Published online | 01 September 2002 | |
First-principles LSDF study of weak ferromagnetism in Fe2O3
Institut für Festkörperphysik, Technische Hochschule - D-64289
Darmstadt, Germany
Received:
26
July
1995
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
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