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Title: Structure and magnetism of new rare-earth-free intermetallic compounds: Fe 3+xCo 3-xTi 2 (0 ≤ x ≤ 3)

Here, we report the fabrication of a set of new rare-earth-free magnetic compounds, which form the Fe 3Co 3Ti 2-type hexagonal structure with P-6m2 symmetry. Neutron powder diffraction shows a significant Fe/Co anti-site mixing in the Fe 3Co 3Ti 2 structure, which has a strong effect on the magnetocrystalline anisotropy as revealed by first-principle calculations. Increasing substitution of Fe atoms for Co in the Fe 3Co 3Ti 2 lattice leads to the formation of Fe 4Co 2Ti 2, Fe 5CoTi, and Fe 6Ti 2 with significantly improved permanent-magnet properties. A high magnetic anisotropy (13.0 Mergs/cm 3) and saturation magnetic polarization (11.4 kG) are achieved at 10 K by altering the atomic arrangements and decreasing Fe/Co occupancy disorder.
Authors:
 [1] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1] ;  [3] ; ORCiD logo [1] ; ORCiD logo [4] ;  [4] ;  [1] ;  [1] ;  [2] ;  [2] ;  [1]
  1. Univ. of Nebraska, Lincoln, NE (United States)
  2. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  3. Iowa State Univ., Ames, IA (United States); Chinese Academy of Sciences, Hefei (People's Republic of China)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Report Number(s):
IS-J-9182
Journal ID: ISSN 2166-532X; AMPADS; KC0402010; ERKCSNX
Grant/Contract Number:
AC05-00OR22725; AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 4; Journal Issue: 11; Journal ID: ISSN 2166-532X
Publisher:
American Institute of Physics (AIP)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS); Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; x-ray diffraction; crystal structure; magnetic anisotropy; coercive force; density functional theory
OSTI Identifier:
1334479
Alternate Identifier(s):
OSTI ID: 1347743

Balasubramanian, Balamurugan, Das, Bhaskar, Nguyen, Manh Cuong, Xu, Xiaoshan, Zhang, Jie, Zhang, Xiaozhe, Liu, Yaohua, Huq, Ashfia, Valloppilly, Shah R., Jin, Yunlong, Wang, Cai -Zhuang, Ho, Kai -Ming, and Sellmyer, David J.. Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3-xTi2 (0 ≤ x ≤ 3). United States: N. p., Web. doi:10.1063/1.4968517.
Balasubramanian, Balamurugan, Das, Bhaskar, Nguyen, Manh Cuong, Xu, Xiaoshan, Zhang, Jie, Zhang, Xiaozhe, Liu, Yaohua, Huq, Ashfia, Valloppilly, Shah R., Jin, Yunlong, Wang, Cai -Zhuang, Ho, Kai -Ming, & Sellmyer, David J.. Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3-xTi2 (0 ≤ x ≤ 3). United States. doi:10.1063/1.4968517.
Balasubramanian, Balamurugan, Das, Bhaskar, Nguyen, Manh Cuong, Xu, Xiaoshan, Zhang, Jie, Zhang, Xiaozhe, Liu, Yaohua, Huq, Ashfia, Valloppilly, Shah R., Jin, Yunlong, Wang, Cai -Zhuang, Ho, Kai -Ming, and Sellmyer, David J.. 2016. "Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3-xTi2 (0 ≤ x ≤ 3)". United States. doi:10.1063/1.4968517. https://www.osti.gov/servlets/purl/1334479.
@article{osti_1334479,
title = {Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3-xTi2 (0 ≤ x ≤ 3)},
author = {Balasubramanian, Balamurugan and Das, Bhaskar and Nguyen, Manh Cuong and Xu, Xiaoshan and Zhang, Jie and Zhang, Xiaozhe and Liu, Yaohua and Huq, Ashfia and Valloppilly, Shah R. and Jin, Yunlong and Wang, Cai -Zhuang and Ho, Kai -Ming and Sellmyer, David J.},
abstractNote = {Here, we report the fabrication of a set of new rare-earth-free magnetic compounds, which form the Fe3Co3Ti2-type hexagonal structure with P-6m2 symmetry. Neutron powder diffraction shows a significant Fe/Co anti-site mixing in the Fe3Co3Ti2 structure, which has a strong effect on the magnetocrystalline anisotropy as revealed by first-principle calculations. Increasing substitution of Fe atoms for Co in the Fe3Co3Ti2 lattice leads to the formation of Fe4Co2Ti2, Fe5CoTi, and Fe6Ti2 with significantly improved permanent-magnet properties. A high magnetic anisotropy (13.0 Mergs/cm3) and saturation magnetic polarization (11.4 kG) are achieved at 10 K by altering the atomic arrangements and decreasing Fe/Co occupancy disorder.},
doi = {10.1063/1.4968517},
journal = {APL Materials},
number = 11,
volume = 4,
place = {United States},
year = {2016},
month = {11}
}