| Fe和Co对Ni2MnGa合金(110)马氏体孪晶界面电子结构的影响 |
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| 引用本文： | 万见峰,费燕琼,王健农.Fe和Co对Ni2MnGa合金(110)马氏体孪晶界面电子结构的影响[J].物理学报,2006,55(5):2444-2448. |
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| 作者姓名： | 万见峰 费燕琼 王健农 |
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| 作者单位： | (1)上海交通大学材料科学与工程学院,上海 200030; (2)上海交通大学机器人研究所,上海 200030 |
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| 基金项目： | 国家自然科学基金(批准号：50301011)资助的课题. |
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| 摘 要： | 利用密度泛函理论研究了Fe，Co两种合金元素对Ni2MnGa合金(110)马氏体孪晶界面电子结构的影响. 分别从界面能、偏聚能、磁矩、键序和电子态密度等角度对合金元素在界面处的掺杂效应进行了分析和比较. 计算结果表明，在对界面的钉扎作用上，Co的界面掺杂效应较Fe的掺杂效应强；对于界面磁性的影响，Fe掺杂对界面磁结构的作用比Co掺杂显著.
关键词：
密度泛函理论
孪晶界面
掺杂效应
马氏体
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| 关 键 词： | 密度泛函理论 孪晶界面 掺杂效应 马氏体 |
| 文章编号： | 1000-3290/2006/55（05）2444-05 |
| 收稿时间： | 07 27 2005 12:00AM |
| 修稿时间： | 2005-07-272005-09-29 |
Effect of Fe and Co on the electronic structure of (110) martensite twin boundary in Ni2MnGa alloy |
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| Wan Jian-Feng,Fei Yan-Qiong and Wang Jian-Nong.Effect of Fe and Co on the electronic structure of (110) martensite twin boundary in Ni2MnGa alloy[J].Acta Physica Sinica,2006,55(5):2444-2448. |
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| Authors: | Wan Jian-Feng Fei Yan-Qiong and Wang Jian-Nong |
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| Institution: | 1 School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200030, China ;2 Research Institute of Robotics, Shanghai Jiaotong University, Shanghai 200030, China |
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| Abstract: | Effect of iron and cobalt on the electronic structure of (110) martensite twin boundary in Ni2MnGa alloy have been investigated by using density functional theory (DFT), including twin boundary energy, segregation energy, magnetic moment, bond order and electronic density of states. The calculation results demonstrated that cobalt has a stronger doping effect on the twin interface than iron, and has less influence on the magnetic property of the twin boundary than the latter. |
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| Keywords: | density functional theory twin interface doping effect martensite |
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