Non-collinear magnetization density in VAu4
2002 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 90, no 6, 1610-1613 p.Article in journal (Refereed) Published
The spin and orbital magnetic moments of VAu4 have been calculated using a first principles method that allows for noncollinear magnetic ordering. The large spin–orbit coupling of the Au atom is argued to induce large noncollinear components of the magnetization density as well as a parallel coupling between spin and orbital moments of the V atom, in contrast to expectations from Hund's third rule.
Place, publisher, year, edition, pages
2002. Vol. 90, no 6, 1610-1613 p.
noncollinear magnetism; first principles theory; Hund's rules; spin and orbital moments; LAPW
IdentifiersURN: urn:nbn:se:uu:diva-89772DOI: 10.1002/qua.10345OAI: oai:DiVA.org:uu-89772DiVA: diva2:161508