Structural and magnetic properties of the Gd-based bulk metallic glasses GdFe2, GdCo2, and GdNi2 from first principles
2016 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 94, no 17, 174201Article in journal (Refereed) Published
A structural and magnetic characterization of Gd-based bulk metallic glasses, GdFe2, GdCo2, and GdNi2, was performed. Models for the amorphous structures for two magnetic configurations, ferromagnetic and ferrimagnetic, were obtained by means of a first-principles-based method, the stochastic quenching. In all three cases, the ferrimagnetic configuration was energetically more stable than the ferromagnetic one, in perfect agreement with experiments. In the structural analysis, radial and angle distribution functions as well as calculations of bond lengths and average coordination numbers were included. Structural properties are in good agreement with experiments and do not depend on the magnetic configuration. The distribution of magnetic moments shows that amorphous GdFe2 and GdCo2 are both ferrimagnets, with antiparallel alignment of the magnetic moments of the two magnetic sublattices, whereas Ni nearly loses its magnetic moment in amorphous GdNi2, similar to the situation in its crystalline counterpart.
Place, publisher, year, edition, pages
2016. Vol. 94, no 17, 174201
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-196979DOI: 10.1103/PhysRevB.94.174201ISI: 000386616500001ScopusID: 2-s2.0-84994668378OAI: oai:DiVA.org:kth-196979DiVA: diva2:1055975
QC 201612132016-12-132016-11-282016-12-13Bibliographically approved