【摘 要】
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The spin-polarized MS-Xα method is employed to study the electronic structure and the magnetic property of the SmCo5 compound.According to the calculated resul
【机 构】
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School of physics and Microelectronics,Institute of Functional Materials
论文部分内容阅读
The spin-polarized MS-Xα method is employed to study the electronic structure and the magnetic property of the SmCo5 compound.According to the calculated results, the magnetic moment per Sm is 1.29μB in the SmCo5 compound, which agrees with that of experiments.The analyzed result reveals that some negative exchange couplings occurring at six energy levels induce the distinct decrease of Curie temperature and the magnetic moment per Co.The valence electron numbers of 2.48, which are derived from the orbital hybridization from s, p, d and f functions between Sm and Co atoms, are transferred to Sm(5d0) orbital.Therefore, the exchange interactions between 3d ～ 5d electrons lead to the magnetic coupling between Sm and Co, which results in the long-range ferromagnetic-order inside the SmCo5 compound.
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