期刊
PHILOSOPHICAL MAGAZINE LETTERS
卷 90, 期 12, 页码 851-859出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/09500839.2010.508446
关键词
magnetic phase transition; thermal expansion; first-principles calculations; Invar
类别
资金
- Office of Naval Research (ONR) [N0014-07-1-0638]
- National Science Foundation (NSF) [DMR-0510180]
- DOE Basic Sciences [DOE DE-FG02-07ER46417]
- National Science Foundation [OCI-0821527]
- Office of Science of the US Department of Energy [DE-AC02-05CH11231]
- Arctic Region Supercomputing Center at the University of Alaska Fairbanks as part of the Department of Defense
To understand the Invar anomalies, such as negative thermal expansion and spontaneous magnetization, we have applied our recently developed thermodynamic framework for a system with itinerant-electron magnetism to the ordered Fe3Pt. The framework has coherently predicted the finite temperature intermixing between the fully ferromagnetic (FM) configuration and the spin-flipping configurations (SFCs). We have also discovered a tri-critical point at which a high-temperature second-order phase transition, between the fully ordered FM phase and the paramagnetic phase which is disordered due to SFCs, becomes first order at low temperatures.
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