Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 32, Issue 46, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-648X/abae1b
Keywords
order degree; antiferromagnetic state; local cluster configuration; ab initiocalculation; similar atomic environment
Categories
Funding
- National Natural Science Foundation of China [51771015, U1804123]
- Science Challenge Project [TZ2018002]
- State Key Lab of Advanced Metals and Materials [2018-ZD01]
- Fundamental Research Funds for the Central Universities [FRF-TP-18-013A3]
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In this work, we study the local magnetic moment as a function of order degree in solid-solution FeAl alloys. Using the combination ofab initiomethod and similar atomic environment model, we find that the decrease of magnetic moment, even antiferromagnetic behavior, of the Fe atoms derives from the distorted local atomic clusters centered at Fe atoms on the Fe-atom sublattice sites in B2 FeAl alloys. While the local magnetic moment of Fe atoms is up to 2.2 mu(B)on the Al and Fe solid-solution sublattice sites. The ordering results in the decrease of Curie temperature and magnetic moment of solid-solution FeAl alloys.
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