Journal
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 80, Issue 10, Pages -Publisher
PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.80.104711
Keywords
Fe; Cr; V; magnetism; Curie temperature; Neel temperature; first-principles calculation
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Funding
- Grants-in-Aid for Scientific Research [23760624, 23340102, 22104012] Funding Source: KAKEN
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Enhancement of magnetism of Fe that occurs by alloying with Cr or V is discussed on the basis of first-principles electronic structure calculation. The d states of Fe next to Cr(V) are pushed down to the lower energy side compared to those of pure Fe due to the hybridization with Cr(V) d states, which leads a Co-like electronic structure for the Fe atom. This enhances magnetic moments of other Fe atoms and also the exchange couplings among them. The same mechanism works as well for the magnetism of Fe/Cr heterostructures. The idea is extended to design of a new type of antiferromagnets with high Neel temperature. Such heterostructures could be used to increase a magnetic anisotropy of permanent magnets.
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