Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 188, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2020.110227
Keywords
DFT; Monte-Carlo simulation; Rotating magnetocaloric effect; Magneto crystalline anisotropy
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Funding
- Di-CHiLD project [J205101520]
- JSPS KAKENHI [17H06154]
- Grants-in-Aid for Scientific Research [17H06154] Funding Source: KAKEN
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The recent discovery of the rotating magnetocaloric effect in rare-earth and transition metal compounds has potential applications for the next generation of fast-operating and compact cooling devices. This phenomenon has been studied in MnP, with theoretical predictions of significant rotating magnetic entropy changes in the material.
Recent discovery of the rotating magnetocaloric effect in rare-earth and transition metal compounds opens up a potential application for the next generation of the cooling device with fast operation time and compact size. However, there are few theoretical works on this phenomenon. We study the anisotropic magnetocaloric effect in MnP by combining first-principles calculations and Monte-Carlo simulations. The magnetocrystalline anisotropy energy is not negligible even above the Curie temperature due to the effect of the external magnetic field on the magnetization. The dependence of the isothermal magnetic entropy change on the direction of an applied magnetic field is quantitatively reproduced by using our model. The large rotating magnetic entropy changes in MnP are predicted theoretically.
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