| Co50Fe25-xMnxSi25系列合金的结构、磁性和半金属性研究 |
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| 引用本文： | 赵晶晶,祁欣,刘恩克,朱伟,钱金凤,李贵江,王文洪,吴光恒.Co50Fe25-xMnxSi25系列合金的结构、磁性和半金属性研究[J].物理学报,2011,60(4):47108-047108. |
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| 作者姓名： | 赵晶晶 祁欣 刘恩克 朱伟 钱金凤 李贵江 王文洪 吴光恒 |
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| 作者单位： | (1)北京化工大学理学院,北京 100029; (2)中国科学院物理研究所,磁学国家重点实验室,北京 100190 |
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| 基金项目： | 国家重点基础研究发展计划(批准号:2010CB833102)和北京市教育委员会学科与研究生教育建设项目专项资助的课题. |
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| 摘 要： | 利用实验和能带计算相结合的方法,对介于两种预期的半金属Heusler合金Co2FeSi和Co2MnSi间的四元合金Co50Fe25-xMnxSi25的晶体结构、磁性、能带结构和半金属性进行了研究.采用考虑库仑相互作用的的广义梯度近似方法计算了系列合金的能带结构,通过与实验结果进行对比,揭示了成分变化过程中合金分子磁矩及原子磁矩的变化规律.研究发现,
关键词：
磁性
半金属
Heusler合金
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| 关 键 词： | 磁性 半金属 Heusler合金 |
| 收稿时间： | 2010-10-13 |
Structural, magnetic and half-metallic properties of Co50Fe25-xMnxSi25 alloys |
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| Zhao Jing-Jing,Qi Xin,Liu En-Ke,Zhu Wei,Qian Jin-Feng,Li Gui-Jiang,Wang Wen-Hong,Wu Guang-Heng.Structural, magnetic and half-metallic properties of Co50Fe25-xMnxSi25 alloys[J].Acta Physica Sinica,2011,60(4):47108-047108. |
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| Authors: | Zhao Jing-Jing Qi Xin Liu En-Ke Zhu Wei Qian Jin-Feng Li Gui-Jiang Wang Wen-Hong Wu Guang-Heng |
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| Institution: | School of Science, Beijing University of Chemical Technology, Beijing 100029, China;School of Science, Beijing University of Chemical Technology, Beijing 100029, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China |
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| Abstract: | Compared with the experiment results,the atomic moment of Co50Fe25-xMnxSi25 dependending on composition and half-metalic of these alloys have been investigated by GGA + U method. It has been found that with the increase of Mn content, Co50Fe25-xMnxSi25 alloys always maintain a high ordered L21 structure and the total moment of these alloys decrease linearly which is mainly attribute to the reduction of Co atomic moment. It has also been found that with the increase of Mn content,Co50Fe25-xMnxSi25 alloys maintain 100% spin polarization and Fermi level move from the edge of the energy gap to the middle of the energy gap while the gap-width has changed. |
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| Keywords: | magnetic properties half-metal Heusler alloys |
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