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Title: Anisotropy and orbital moment in Sm-Co permanent magnets

Abstract

Structural and magnetic properties of iron-free and iron-substituted SmCo5 have been investigated theoretically and experimentally. The nanocrystalline ribbons of SmCo5–xFex(0 ≤ x ≤ 2), which were produced by rapid solidification, crystallize in the hexagonal CaCu5 structure for x ≤ 0.75. Small Fe additions (x = 0.25) substantially improve the coercivity, from 0.45 to 2.70 T, which we interpret as combined intrinsic and extrinsic effect. Most of our findings are consistent with past samarium-cobalt research, but some are at odds with findings that have seemingly been well established through decades of rare-earth transition-metal research. In particular, our local spin-density approximation with Hubbard parameter calculations indicate that the electronic structure of the Sm atoms violates Hund's rules and that the orbital moment is strongly quenched. Possible reasons for the apparent disagreement between theory and experiment are discussed. Here, we explicitly determine the dependence of the Sm 4$f$ charge distribution, arguing that an accurate density-functional description of SmCo5 is a challenge to future research.

Authors:
 [1];  [2];  [3];  [3];  [2];  [2];  [3]
+ Show Author Affiliations
  1. Univ. of Nebraska, Lincoln, NE (United States); Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. Univ. of Nebraska, Lincoln, NE (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1542930
Alternate Identifier(s):
OSTI ID: 1546493
Report Number(s):
IS-J-9982
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
AC02-07CH11358; FG02-04ER46152; 1542182
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Das, Bhaskar, Choudhary, Renu, Skomski, Ralph, Balasubramanian, Balamurugan, Pathak, Arjun K., Paudyal, Durga, and Sellmyer, David J. Anisotropy and orbital moment in Sm-Co permanent magnets. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.024419.
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Das, Bhaskar, Choudhary, Renu, Skomski, Ralph, Balasubramanian, Balamurugan, Pathak, Arjun K., Paudyal, Durga, & Sellmyer, David J. Anisotropy and orbital moment in Sm-Co permanent magnets. United States. https://doi.org/10.1103/PhysRevB.100.024419
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Das, Bhaskar, Choudhary, Renu, Skomski, Ralph, Balasubramanian, Balamurugan, Pathak, Arjun K., Paudyal, Durga, and Sellmyer, David J. Thu . "Anisotropy and orbital moment in Sm-Co permanent magnets". United States. https://doi.org/10.1103/PhysRevB.100.024419. https://www.osti.gov/servlets/purl/1542930.
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@article{osti_1542930,
title = {Anisotropy and orbital moment in Sm-Co permanent magnets},
author = {Das, Bhaskar and Choudhary, Renu and Skomski, Ralph and Balasubramanian, Balamurugan and Pathak, Arjun K. and Paudyal, Durga and Sellmyer, David J.},
abstractNote = {Structural and magnetic properties of iron-free and iron-substituted SmCo5 have been investigated theoretically and experimentally. The nanocrystalline ribbons of SmCo5–xFex(0 ≤ x ≤ 2), which were produced by rapid solidification, crystallize in the hexagonal CaCu5 structure for x ≤ 0.75. Small Fe additions (x = 0.25) substantially improve the coercivity, from 0.45 to 2.70 T, which we interpret as combined intrinsic and extrinsic effect. Most of our findings are consistent with past samarium-cobalt research, but some are at odds with findings that have seemingly been well established through decades of rare-earth transition-metal research. In particular, our local spin-density approximation with Hubbard parameter calculations indicate that the electronic structure of the Sm atoms violates Hund's rules and that the orbital moment is strongly quenched. Possible reasons for the apparent disagreement between theory and experiment are discussed. Here, we explicitly determine the dependence of the Sm 4$f$ charge distribution, arguing that an accurate density-functional description of SmCo5 is a challenge to future research.},
doi = {10.1103/PhysRevB.100.024419},
journal = {Physical Review B},
number = 2,
volume = 100,
place = {United States},
year = {2019},
month = {7}
}
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https://doi.org/10.1103/PhysRevB.100.024419
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Figures / Tables:

FIG. 1 FIG. 1: A unit cell of the hexagonal intermetallic SmCo5.
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