Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 926, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2022.166718
Keywords
DFT; Monte Carlo simulations; Magnetocaloric effect
Categories
Funding
- Tokio Marine Kagami Memorial Foundation [J205101520]
- JSPS KAKENHI [17H06154]
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The magnetocaloric effects of FeRh alloy, including both direct and inverse effects, have been studied using first-principles calculations and Monte Carlo simulations. The research successfully reproduces experimental results and reveals that FeRh alloy has a giant relative cooling power due to its large saturation magnetizations and first-order antiferromagnetic-ferromagnetic phase transition.
There are two types of magnetocaloric effects that are the so-called direct and inverse effects originating from ferromagnetic-paramagnetic (FM-PM) and antiferromagnetic-ferromagnetic (AFM-FM) phase transitions, respectively. Here, the magnetocaloric effects of FeRh alloy, which exhibit both the direct and inverse effects, have been studied by combining first-principles calculations and Monte Carlo simulations. The magnetic exchange coupling constants in the AFM and FM phases are evaluated by first-principles calculations based on the Liechtenstein formula. The Monte Carlo calculations considering the two-phase mixtures of AFM and FM well reproduce the experimental magnetization curves at zero external magnetic field. It is also shown that the isothermal magnetic entropy changes near the AFM-FM transition temperature under magnetic fields are successfully reproduced based on the Maxwell relation. The entropy changes in a wide range of the magnetic fields near the AFM-FM and FM-PM transition temperatures are investigated and the direct and inverse magnetocaloric effects of FeRh are discussed. The giant relative cooling power of FeRh alloy is achieved due to the large saturation magnetizations and the first-order AFM-FM phase transition. (C) 2022 Published by Elsevier B.V.
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