Magnetic moments and exchange interaction in Sm(Co, Fe)5 from first-principles |
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| Authors: | X.B. Liu Z. Altounian |
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| Affiliation: | 1. C.M.T.R, I.C.M.P.E, CNRS, Université Paris Est Créteil, UMR 7182, 2-8 rue Henri Dunant, F-94320 Thiais, France;2. Laboratoire des Sciences des Matériaux et de l''Environnement, Faculté des Sciences de Sfax- Université de Sfax, BP 1171, Sfax, 3018, Tunisia;3. Chemistry Departement, College of Science and Arts at Ar-Rass, Qassim University, P.O. Box53, Saudi Arabia;1. Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China;2. School of Materials and Chemical Engineering, Ningbo University of Technology, Ningbo, 315211, China;3. Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, 1219 Zhongguan West Road, Ningbo 315201, China;1. Laboratoire Matériaux Organisation et Propriétés, Faculté des Sciences de Tunis, Université Tunis El Manar, 2092 Tunis, Tunisia;2. CMTR, ICMPE, UMR7182, CNRS, Université Paris Est, 2-8 rue Henri Dunant, F-94320 Thiais, France;3. Dept. of Electrical Engineering and Applied Physics, Transilvania University of Brasov, Bd. Eroilor 29, 500036 Brasov, Romania;1. CMTR, ICMPE, UMR7182, CNRS, Université Paris Est, 2-8 rue Henri Dunant F-94320 Thiais, France;2. LVMU, Centre National de Recherches en Sciences des Matériaux, Technopole de Borj-Cédria, BP 73 Soliman 8027, Tunisia;3. College of Science, King Khalid University, Abha, Saudi Arabia |
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| Abstract: | The electronic structure, magnetization and exchange interaction in Sm(Co1?xFex)5 with x = 0–1 are studied from a first-principles density functional calculation. The dependence of the magnetization on Fe content shows a 3d-like Slater–Pauling relationship in these alloys. As the Fe content x increases from 0 to 1.0, the magnetization increases from 7.8 μB to 10.6 μB (x = 0.8) and then decreases to 10.0 μB (x = 1). The effective exchange interaction parameters show a peak value around x = 0.6, which is ascribed to the exchange parameters between Fe and Co being larger than those for Co–Co and Fe–Fe pairs. The estimated TC from the calculated exchange parameters range between 890 K and 1357 K in Sm(Co1?xFex)5 using a multi-sublattices mean field model. |
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