The longstanding issue of magnetic thermodynamics containing anomalies can be resolved using a reliable model at finite temperatures: thermodynamic fluctuations among the competing collinear magnetic configurations (especially the low energy ones) in accordance with canonical partition function. Based on first-principles phonon calculations, we shed light on the magnetic materials (as exemplified in bcc Fe): the Schottky anomaly of heat capacity and the pressure-dependent Curie temperature stem from the magnetic configurational entropy due to the competition of various magnetic states.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Jul 23 2010|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics