Magnetic properties of DyCo{sub 5} and TbCo{sub 5} intermetallics from the electronic structure calculations
Journal Article
·
· Journal of Solid State Chemistry
- Laboratory for Solid State Chemistry, Division of Materials Chemistry, Institute Rudjer Boskovic, P.O. Box 180, 10002 Zagreb (Croatia)
LSDA and LSDA+U calculations, with spin-orbit coupling (SOC) included, were performed for DyCo{sub 5} and TbCo{sub 5} intermetallic compounds. In the case of magnetic moments, LSDA-SOC calculations give results in good agreement with the experimental data. However, LSDA has shown to be unable to predict relative stabilities of ferromagnetic and ferrimagnetic configurations of the 4f and 3d spin sublattices giving the wrong result that the ferromagnetic configuration is more stable. LSDA+U method cures this problem and gives correct result. Additionally, within the accuracy of available experimental data, the corresponding effective exchange fields are in reasonable agreement with experiment.
- OSTI ID:
- 21015690
- Journal Information:
- Journal of Solid State Chemistry, Vol. 180, Issue 2; Other Information: DOI: 10.1016/j.jssc.2006.11.010; PII: S0022-4596(06)00596-2; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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