Electronic, magnetic properties and magneto-caloric effects of NdSi Monte Carlo study

Authors

  • M. Abbasi Laboratory of Condensed Matter and Interdisciplinary Sciences, Department of Physics, Faculty of Sciences, Mohammed V University, P. O. Box 1014, Rabat 10000, Morocco
  • R. El Fdil Laboratory of Condensed Matter and Interdisciplinary Sciences, Department of Physics, Faculty of Sciences, Mohammed V University, P. O. Box 1014, Rabat 10000, Morocco
  • N. Ennassiri Laboratory of Condensed Matter and Interdisciplinary Sciences, Department of Physics, Faculty of Sciences, Mohammed V University, P. O. Box 1014, Rabat 10000, Morocco
  • R. Essajai Group of Semiconductors and Environmental Sensor Technologies- Energy Research Center, Faculty of Science, Mohammed V, University, B. P. 1014, Rabat 10000, Morocco
  • E. Salmani Laboratory of Condensed Matter and Interdisciplinary Sciences, Department of Physics, Faculty of Sciences, Mohammed V University, P. O. Box 1014, Rabat 10000, Morocco
  • H. Ez-Zahraouy Laboratory of Condensed Matter and Interdisciplinary Sciences, Department of Physics, Faculty of Sciences, Mohammed V University, P. O. Box 1014, Rabat 10000, Morocco
Article ID: 338
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DOI:

https://doi.org/10.18686/cest338

Keywords:

NdSi compound; first principal calculations; Monte Carlo simulations; magnetocaloric effect; magnetic properties

Abstract

The increasing focus on rare-earth-based intermetallic materials has intensified the search for compounds capable of delivering superior performance in low-temperature magnetic refrigeration systems. In the present work, we theoretically examine the electronic, magnetic, and magnetocaloric characteristics of the NdSi intermetallic compound by employing a hybrid computational approach that combines density functional theory (DFT) and Monte Carlo simulations. DFT results indicate a magnetic moment of approximately 3.36 µB per Nd3+ ion. To further assess the magnetic response, Monte Carlo simulations were conducted using DFT-derived exchange coupling constants as input, enabling analysis of magnetic ordering, isothermal magnetic entropy variation, and relative cooling power (RCP) near the Curie temperature (Tc = 47 K). The computed peak value of the magnetic entropy change (ΔSm) is 12.1 J·kg−1·K−1, while the corresponding RCP reaches 201 J·kg−1 under an applied magnetic field change of Δh = 0–5 T. These outcomes underline the excellent magnetocaloric potential of NdSi, suggesting its viability as a high-efficiency, low-temperature refrigerant and a compelling substitute for other intermetallic systems in next-generation cooling technologies.

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Published

2025-05-15

How to Cite

Abbasi, M., El Fdil, R., Ennassiri, N., Essajai, R., Salmani, E., & Ez-Zahraouy, H. (2025). Electronic, magnetic properties and magneto-caloric effects of NdSi Monte Carlo study. Clean Energy Science and Technology, 3(2), 338. https://doi.org/10.18686/cest338

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Vol. 3 No. 2 (2025): Recent Advances in Plasma Science and Technology for Energy and Environmental Applications

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This work is licensed under a Creative Commons Attribution 4.0 International License.

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