| Electronic structure and magnetic properties of metastable SmCo_7 compound |
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| 引用本文： | ZHANG Changwen 1,LI Hua 1,DONG Jianmin 1,WANG Yongjuan 1,PAN Fengchun 1,ZHANG Jian 1,GUO Yongquan 2 & LI Wei 2 1. School of Physics and Microelectronics,Shandong University,Jinan 250100,China, 2. Institute of Functional Materials,Central Iron and Steel Research Institute,Beijing 100081,China. Electronic structure and magnetic properties of metastable SmCo_7 compound[J]. 中国科学G辑(英文版), 2005, 48(3) |
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| 作者姓名： | ZHANG Changwen 1 LI Hua 1 DONG Jianmin 1 WANG Yongjuan 1 PAN Fengchun 1 ZHANG Jian 1 GUO Yongquan 2 & LI Wei 2 1. School of Physics and Microelectronics Shandong University Jinan 250100 China 2. Institute of Functional Materials Central Iron and Steel Research Institute Beijing 100081 China |
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| 作者单位： | ZHANG Changwen 1，LI Hua 1，DONG Jianmin 1，WANG Yongjuan 1，PAN Fengchun 1，ZHANG Jian 1，GUO Yongquan 2 & LI Wei 2 1. School of Physics and Microelectronics，Shandong University，Jinan 250100，China; 2. Institute of Functional Materials，Central Iron and Steel Research Institute，Beijing 100081，China |
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| 基金项目： | 国家高技术研究发展计划(863计划)，山东省自然科学基金 |
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| 摘 要： | 1 Introduction The rare-earth transition-metal intermetallic compounds have been widely investi-gated for many years, among them the Sm-Co series compounds with 1:5 and 2:17 crys-tal structures. These compounds have been used as sintered and bonded permanent magnets since the 1960s[1,2]. Interest recently has been focused on the TbCu7-type struc-ture Sm-Co intermetallic compounds with a strong uniaxial magnetocrytalline anisot-ropy and a low temperature coefficient (β = ?0.11%)[3―6] due t…
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Electronic structure and magnetic properties of metastable SmCo7 compound |
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| ZHANG Changwen,LI Hua,DONG Jianmin,WANG Yongjuan,Pan Fengchun,ZHANG Jian,GUO Yongquan,LI Wei. Electronic structure and magnetic properties of metastable SmCo7 compound[J]. Science in China(Physics Astronomy), 2005, 48(3) |
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| Authors: | ZHANG Changwen LI Hua DONG Jianmin WANG Yongjuan Pan Fengchun ZHANG Jian GUO Yongquan LI Wei |
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| Affiliation: | 1. School of Physics and Microelectronics, Shandong University, Jinan 250100, China
2. Institute of Functional Materials, Central Iron and Steel Research Institute, Beijing 100081, China |
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| Abstract: | The electronic density of states, spin-splittings and atomic magnetic moments of SmCo7 compound have been studied using spin-polarized MS-X( method. The results show that a few of electrons are transferred to Sm(5d0) orbital because of orbital hybridization between Sm and Co atoms in the compound. The exchange interactions between 3d and 5d electrons lead to the magnetic coupling between Sm and Co, and therefore, result in the long-range ferromagnetic order inside the SmCo7 compound. There are negative exchange couplings occurring at some levels, which weakens the strength of average coupling around Co lattice. So, the Curie temperature and Co-moment of SmCo7 decrease distinctly compared with pure Co. Compared with SmCo5 compound, the disordered substitution of Co-Co "dumbbell-atom" pairs for Sm changes the local environment of Co lattice, which makes the 2e site bear negative magnetic moment. The strength of hybridization near Fermi level weakens and the free energy of the compound increases obviously. Thus, SmCo7 is a metastable compound at room temperature. Considering the localization of 4f electrons and a few of 5d electrons arising from the orbital hybridization, the magnetic moment of Sm atom will be 1.61μB in SmCo7 compound, which is in agreement with the experimental values of Sm3+ ion- moment and Sm atom-moment in metals. |
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| Keywords: | electronic structure spin polarization atomic magnetic moment exchange coupling Curie tem- perature. |
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