Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 21, Issue 32, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/21/32/326003
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Funding
- NSF [DMR-9983532, DMR-0122638, DMR-0205232, DMR-0510180]
- US Department of Energy [DE-AC02-05CH11231]
- Arctic Region Supercomputing Center at the University of Alaska Fairbanks as part of the Department of Defense High Performance ComputingModernization Program
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Thermodynamic fluctuation among many electronic states in systems with 'itinerant-electron' magnetism is addressed with a first-principles formulation of the Helmholtz energy. The Ce gamma-alpha phase transition is used as an illustrative case. The k(B) ln(2J + 1) form for the magnetic entropy that is commonly found in the literature is replaced with an expression that is derived from configurational fluctuations among nonmagnetic, ferromagnetic, and antiferromagnetic electronic states. Predicted first- and second-order magnetic phase transitions are in close accord with experiment. The mixture of states leads to a Schottky anomaly in the Ce specific heat.
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