Effect of chromium substitution on structural, magnetic and magnetocaloric properties of GdFe12−Cr intermetallic compounds, Mössbauer spectrometry and ab initio calculations
| العنوان: | Effect of chromium substitution on structural, magnetic and magnetocaloric properties of GdFe12−Cr intermetallic compounds, Mössbauer spectrometry and ab initio calculations |
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| المؤلفون: | M. Saidi, M. Jemmali, S. Walha, E.K. Hlil, Lotfi Bessais |
| المساهمون: | Institut de Chimie et des Matériaux Paris-Est (ICMPE), Institut de Chimie du CNRS (INC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Université de Sfax - University of Sfax, Magnétisme et Supraconductivité (MagSup), Institut Néel (NEEL), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA) |
| المصدر: | Journal of Solid State Chemistry Journal of Solid State Chemistry, Elsevier, 2021, 297, pp.122019. ⟨10.1016/j.jssc.2021.122019⟩ |
| بيانات النشر: | HAL CCSD, 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Materials science, Rietveld refinement, Intermetallic, Analytical chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Electronic, Optical and Magnetic Materials, Inorganic Chemistry, Paramagnetism, Magnetization, 0103 physical sciences, Materials Chemistry, Ceramics and Composites, Magnetic refrigeration, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Curie temperature, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology, Powder diffraction, ComputingMilieux_MISCELLANEOUS, Mossbauer spectrometry |
| الوصف: | The single-phase intermetallic compounds GdFe12−xCrx (x = 2, 2.5 and 3), elaborated by arc-melting method and annealed at 1073 K, crystallize in the ThMn12-type structure with the I 4 / m m m space group. The structural, magnetic and magnetocaloric properties of these intermetallic compounds were studied extensively by means of X-ray powder diffraction (XRD), Mossbauer spectrometry and magnetic measurements. The Rietveld analysis of X-ray diffraction patterns reveals that the lattice parameters of GdFe12−xCrx (x = 2, 2.5 and 3) compounds increase linearly with increasing Cr content up to x = 3, and proves that Cr atom prefers 8 i sites in the ThMn12 structure and that Fe occupies 8 i , 8 f and 8 j . The Mossbauer spectra study based on the Wigner-Seitz cell volumes correlation with the isomer shift parameter of each specific site 8 i , 8 f and 8 j , confirms the preferred inequivalent crystallographic site of Cr atoms. Ab initio calculations of GdFe12−xCrx were performed using the density functional theory (DFT) based on the full potential linearized augmented plane wave (FLAPW). The calculated data are in good agreement with the results of the magnetic measurements as well as with the Mossbauer spectrometry. The variation of magnetization (M) vs. temperature (T) reveals that all compounds exhibit a second-order ferromagnetic to paramagnetic phase transition in the vicinity of the Curie temperature ( T C ). The substitution of Fe by Cr yields enhancement of the magnetic ordering transition temperature. The maximum magnetic entropy change ( Δ S M ) was estimated from isothermal magnetization curves and it increases from 1.82 J/kg.K for x = 2, to 2.95 J/kg.K for x = 3, under a field change of 1.5 T. The relative cooling power (RCP) is in the range of 12.5 J/kg for x = 2 and 30.4 J/kg for x = 3. Our results suggest that such substituted compounds could be considered as a potential candidate for magnetic refrigeration technology. |
| اللغة: | English |
| تدمد: | 0022-4596 1095-726X |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4e015d4eda02796b5e57a4bfc213751 https://hal.archives-ouvertes.fr/hal-03137277 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....c4e015d4eda02796b5e57a4bfc213751 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 00224596 1095726X |
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