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Intrinsic magnetic properties in R(Fe1−xCox)11TiZ(R=Yand Ce;Z=H,C,and N)
Physical Review B
  • Liqin Ke, Ames Laboratory
  • Duane D. Johnson, Iowa State University
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
7-1-2016
DOI
10.1103/PhysRevB.94.024423
Abstract

To guide improved properties coincident with reduction of critical materials in permanent magnets, we investigate via density functional theory (DFT) the intrinsic magnetic properties of a promising system, R(Fe1−xCox)11TiZ with R=Y, Ce and interstitial doping (Z=H,C,N). The magnetization M, Curie temperature TC, and magnetocrystalline anisotropy energy K calculated in local density approximation to DFT agree well with measurements. Site-resolved contributions to K reveal that all three Fe sublattices promote uniaxial anisotropy in YFe11Ti, while competing anisotropy contributions exist in YCo11Ti. As observed in experiments on R(Fe1−xCox)11Ti, we find a complex nonmonotonic dependence of K on Co content and show that anisotropy variations are a collective effect of MAE contributions from all sites and cannot be solely explained by preferential site occupancy. With interstitial doping, calculated TC enhancements are in the sequence of N>C>H, with volume and chemical effects contributing to the enhancement. The uniaxial anisotropy of R(Fe1−xCox)11TiZ generally decreases with C and N; although, for R=Ce, C doping is found to greatly enhance it for a small range of 0.7

Comments

This article is from Phys. Rev. B 94, 024423, doi:10.1103/PhysRevB.94.024423. Posted with permission.

Copyright Owner
American Physical Society
Language
en
File Format
application/pdf
Citation Information
Liqin Ke and Duane D. Johnson. "Intrinsic magnetic properties in R(Fe1−xCox)11TiZ(R=Yand Ce;Z=H,C,and N)" Physical Review B Vol. 94 Iss. 2 (2016) p. 024423
Available at: http://works.bepress.com/duane_johnson/106/