Journal
PHYSICAL REVIEW LETTERS
Volume 115, Issue 21, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.115.217201
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Funding
- National Science Foundation [DMR-1308751]
- Critical Materials Institute, an Energy Innovation Hub - U.S. DOE
- Office of Basic Energy Science, Division of Materials Science and Engineering
- U.S. DOE [DE-AC02-07CH11358]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1308751] Funding Source: National Science Foundation
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The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe1-xCox)(2)B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with experimental data is obtained. The anomalies are associated with the changes in band occupations due to Stoner-like band shifts and with the selective suppression of spin-orbit hot spots by thermal spin fluctuations. Under certain conditions, the anisotropy can increase, rather than decrease, with decreasing magnetization due to these peculiar electronic mechanisms, which contrast starkly with those assumed in existing models.
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