Abstract
The understanding of the magnetovolume effect lacks explicit consideration of spin-lattice coupling at the atomic level, despite abundant theoretical and experimental studies throughout the years. This research gap is filled by the recently developed spin-lattice dynamics technique implemented in this study, which investigates the magnetovolume effect of isotropic body-centered-cubic (BCC) iron, a topic that has previously been subject to macroscopic analysis only. This approach demonstrates the magnetic anomaly followed by the volumetric changes associated with the effect, each characterized by the corresponding field-induced inflection temperature. The temperature of the heat capacity peaks is useful in determining the temperature for retarding the atomic volume increase. Moreover, this work shows the correlation between the effects of temperature and field strength in determining the equilibrium atomic volume of a ferromagnetic material under a magnetic field.
Highlights
The magnetovolume effect is the structural deformation induced by the change in magnetization that results from the magnetic phase transition induced by an applied magnetic field
This study has demonstrated the atomic volume anomaly associated with the magnetic properties of BCC iron using the spin-lattice dynamics technique
Magnetovolume effect can be demonstrated by the recent simulation approach of spin-lattice dynamics (SLD), even though it appears limited due to the stiff interatomic potential used in this work
Summary
The magnetovolume effect is the structural deformation induced by the change in magnetization that results from the magnetic phase transition induced by an applied magnetic field. Macroscopic study of the magnetovolume effect has been conducted for dozens of years and has mainly suggested the importance of the distancedependent exchange integral used to describe the coupling in material size determination. To list a few results, Lee[3] has stated the interrelation among the average magnetic moment, the volume, the pressure, and the external magnetic field in a thermodynamic context, while Callen et al.[7] have deduced an anisotropic coupling relation between the spins and the external strain in response to the direction of the external magnetic field.
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