| KKR-CPA-LDA计算方法对CuMnAl和CoMnAl以及CuCoMnAl合金的磁性研究 |
| |
| 引用本文： | 冯琳,朱志永,朱伟,刘恩克,唐晓丹,钱金凤,吴光恒,孟凡斌,刘何燕,罗鸿志,李养贤.KKR-CPA-LDA计算方法对CuMnAl和CoMnAl以及CuCoMnAl合金的磁性研究[J].海洋学报,2010,32(9):6575-6579. |
| |
| 作者姓名： | 冯琳 朱志永 朱伟 刘恩克 唐晓丹 钱金凤 吴光恒 孟凡斌 刘何燕 罗鸿志 李养贤 |
| |
| 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;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;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;河北工业大学材料科学与工程学院, 天津 300130;河北工业大学材料科学与工程学院, 天津 300130;河北工业大学材料科学与工程学院, 天津 300130 |
| |
| 基金项目： | 国家自然科学基金(批准号:10774178,50771103)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. |
| |
| 摘 要： | 采用KKR-CPA-LDA方法研究了CuMnAl,CoMnAl和CuCoMnAl四元合金中磁性原子磁矩和Co-Mn间的交换作用.通过与实验结果对比,揭示了Mn的磁矩和Co的磁矩以及它们的相互作用随成分变化的规律.研究发现,在Cu50Mn25+xAl25-x合金中超过化学配比并占据Al位的Mn原子是反铁磁的,而且由于近邻环境的不同,其磁矩大于原有Mn原子的磁矩.在Co50Mn25+<
|
| 关 键 词： | KKR-CPA-LDA计算 Co-Mn间交换作用 |
Magnetism research on CuMnAl, CoMnAl and CuCoMnAl alloys by KKR-CPA-LDA calculation |
| |
| Feng Lin,Zhu Zhi-Yong,Zhu Wei,Liu En-Ke,Tang Xiao-Dan,Qian Jin-Feng,Wu Guang-Heng,Meng Fan-Bin,Liu He-Yan,Luo Hong-Zhi and Li Yang-Xian.Magnetism research on CuMnAl, CoMnAl and CuCoMnAl alloys by KKR-CPA-LDA calculation[J].Acta Oceanologica Sinica (in Chinese),2010,32(9):6575-6579. |
| |
| Authors: | Feng Lin Zhu Zhi-Yong Zhu Wei Liu En-Ke Tang Xiao-Dan Qian Jin-Feng Wu Guang-Heng Meng Fan-Bin Liu He-Yan Luo Hong-Zhi and Li Yang-Xian |
| |
| Institution: | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China;School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China;School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China;School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China |
| |
| Abstract: | Comparing with the experimental data, the composition dependence of atomic moment and Co-Mn exchange interaction in CuMnAl, CoMnAl and CuCoMnAl alloys have been investigated by KKR-CPA-LDA calculation. It has been found that, due to the different surrounding environments, the magnetic moment of excess Mn atom occupying Al sites is larger than that of the original Mn atoms on B sites in Cu50Mn25+xAl25-x alloys. When the Mn content increases in Co50Mn25+xAl25-x alloys, the moment of Co atom increases monotonically, while the Mn moment almost has the same value. In Cu50-xCoxMn25Al25 alloys, it has been revealed that the moment of Co decreases resulting from the decrease of the moment of Mn atom with the substitution of Co for Cu. These results indicate that the atomic moments of Mn and Co atoms are positively related. It has also been found that the Co-Mn exchange interaction can be enhanced by increasing Mn content and its strength comes not only from the added Co but also from the contribution of Mn. |
| |
| Keywords: | KKR-CPA-LDA calculation Co-Mn exchange interaction |
|
| 点击此处可从《海洋学报》浏览原始摘要信息 |
| 点击此处可从《海洋学报》下载免费的PDF全文 |
|
