| Heusler合金Fe2CrGa的磁性与结构 |
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| 引用本文： | 朱伟,刘恩克,张常在,秦元斌,罗鸿志,王文洪,杜志伟,李建奇,吴光恒. Heusler合金Fe2CrGa的磁性与结构[J]. 物理学报, 2012, 61(2): 27502-027502 |
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| 作者姓名： | 朱伟 刘恩克 张常在 秦元斌 罗鸿志 王文洪 杜志伟 李建奇 吴光恒 |
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| 作者单位： | 中国科学院物理研究所磁学国家重点实验室, 北京 100190;中国科学院物理研究所磁学国家重点实验室, 北京 100190;中国科学院物理研究所磁学国家重点实验室, 北京 100190;内蒙古大学物理科学与技术学院, 呼和浩特 010021;中国科学院物理研究所磁学国家重点实验室, 北京 100190;河北工业大学材料科学与工程学院, 天津 300130;中国科学院物理研究所磁学国家重点实验室, 北京 100190;北京有色金属研究总院分析测试中心, 北京 100088;中国科学院物理研究所磁学国家重点实验室, 北京 100190;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： | 国家自然科学基金(批准号:51031004)和国家重点基础研究发展计划(批准号:2010CB833102)资助的课题. |
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| 摘 要： | 采用KKR-CPA-LDA方法研究了不同混乱占位时Fe2CrGa合金基态的电子结构和磁结构. 基态能量表明Fe2CrGa合金更倾向于形成Hg2CuTi型有序结构,而不是L21结构. 能态密度(DOS)分析进一步揭示受晶体场影响的磁性原子内部交换作用是使Fe2CrGa合金形成 Hg2CuTi型有序结构的主要原因.测量了不同热处理所得Fe2CrGa合金的居里温度和分子磁矩, 发现原子占位有序化可以在137K温度范围内调控合金的居里温度.分子磁矩随有序化占位也有相应变化, 分布在2.28μB/f.u.—2.48μB/f.u.之间.理论计算和实验对比可证明Fe2CrGa合金是Hg2CuTi型Heusler合金.
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| 关 键 词： | Fe2CrGa 磁性与结构 相干势近似 Heusler合金 |
| 收稿时间： | 2012-02-27 |
Magnetic property and structure of Heusler alloy: Fe2CrGa |
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| Zhu Wei,Liu En-Ke,Zhang Chang-Zai,Qin Yuan-Bin,Luo Hong-Zhi,Wang Wen-Hong,Du Zhi-Wei,Li Jian-Qi and Wu Guang-Heng. Magnetic property and structure of Heusler alloy: Fe2CrGa[J]. Acta Physica Sinica, 2012, 61(2): 27502-027502 |
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| Authors: | Zhu Wei Liu En-Ke Zhang Chang-Zai Qin Yuan-Bin Luo Hong-Zhi Wang Wen-Hong Du Zhi-Wei Li Jian-Qi Wu Guang-Heng |
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| Affiliation: | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China; School of Physical Science and Technology, Inner Mongolia University, Huhhot 010021, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China;School of Material Science and Engineering, Heibei University of Technology, Tianjin 300130, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China;Central Research Institute of Nonferrous metals, Beijing 100088, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academic of Science, Beijing 100190, China |
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| Abstract: | The KKR-CPA-LDA method was used to calculate the electronic and the magnetic structures of Fe2CrGa alloy.The results indicate that Fe2CrGa alloy prefers to crystallize in Hg2CuTi-type structure rather than L21 one.The analysis of density of states reveals that the intra-atomic exchange splitting affected by crystal field plays an important role in forming the Hg2CuTi-type structure. The molecular magnetic moments measured experimentally are in a range of 2.28—2.48μB / f.u.,which is very close to that expected theoretically by the calculations based on the Hg2CuTi-type structure,but not based on the L21 structure.The experimental results also show that the Curie temperature of Fe2CrGa alloy can be continuously manipulated from 308K to 445K by heat-treating under the various conditions,indicating a high sensitivity of the exchange interaction to the atomic ordering in this system. |
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| Keywords: | Fe2CrGa magnetic properties and structure coherent potential approximation Heusler alloy |
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