Document Type
Article
Original Publication Date
2003
Journal/Book/Conference Title
Journal of Applied Physics
Volume
93
Issue
5
DOI of Original Publication
10.1063/1.1541109
Date of Submission
October 2015
Abstract
Theoretical studies on the magnetic properties of impurities in Fe–Co alloys have been carried out using a molecular-orbital approach within a gradient corrected density functional formalism. The defected alloy is modeled by a large cluster and the calculations on the ordered alloy are used to show that a cluster containing 67 atoms can provide quantitative information on the local magnetic moment. It is found that although bulk Al, V, and Ru are nonmagnetic, all the impurities carry finite moments. While Al and V impurities couple antiferromagnetically, Ru impurities couple ferromagnetically to the host sites. It is shown that the observed composition dependence of the rate of increase of magnetic moment of FexCo1−x alloys upon addition of Mn impurities is due to the change in the magnetic moment of Mn impurities with composition. The reasons for this change and the possibility of stabilizing a higher Mn moment at all concentrations are discussed.
Rights
Reddy, B. V., Deevi, S. C., Khanna, S. N. Magnetic properties of Al, V, Mn, and Ru impurities in Fe–Co alloys. Journal of Applied Physics 93, 2823 (2003). Copyright © 2003 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.1541109