Noncollinear magnetism in the high-pressure hcp phase of iron
2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 78, no 6, 064410- p.Article in journal (Refereed) Published
The magnetic structure of iron in its high-pressure hcp phase has been investigated with the full-potential augmented plane wave with local orbitals method that allows for noncollinear magnetism. In our study we consider different spin spiral structures and, three antiferromagnetic configurations that have been previously discussed in the literature. We found that some of the magnetic structures are only metastable, and that a nonsymmetric incommensurate spin spiral state with wave vector q = (0.56, 0.22, 0)2 pi/a and two different antiferromagnetic structures are the most stable ones being almost degenerate around the equilibrium volume. These magnetic structures ought to exist in the pressure range where hcp iron becomes stable.
Place, publisher, year, edition, pages
2008. Vol. 78, no 6, 064410- p.
IdentifiersURN: urn:nbn:se:uu:diva-107899DOI: 10.1103/PhysRevB.78.064410ISI: 000259264900059OAI: oai:DiVA.org:uu-107899DiVA: diva2:233500