| 用LMTO方法研究ThMn12型硬磁材料NdFe10Mo2的电子结构与磁性 |
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| 引用本文： | 祁守仁,黄晓东,张岩,黄新堂,甘仲惟,向荣.用LMTO方法研究ThMn12型硬磁材料NdFe10Mo2的电子结构与磁性[J].物理学报,1996,45(8):1396-1401. |
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| 作者姓名： | 祁守仁 黄晓东 张岩 黄新堂 甘仲惟 向荣 |
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| 作者单位： | 华中师范大学物理系,武汉430070;华中师范大学物理系,武汉430070;华中师范大学物理系,武汉430070;华中师范大学物理系,武汉430070;华中师范大学物理系,武汉430070;华中师范大学物理系,武汉430070 |
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| 摘 要： | 简要介绍了线性Muffin-tin轨道(LMTO)方法,并对NdFe10Mo2以及掺N原子后材料的电子结构作了计算,从而得到态密度的变化,求出了对应的磁矩;分析了掺N原子后磁矩变化的机理;并将其结果与M?ssbauer谱的数据作了比较;指出了填隙N原子后,8j位磁矩有最小值.
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| 关 键 词： | LMTO 硬磁材料 稀土 电子结构 磁性 |
| 收稿时间： | 1995-04-17 |
THE LMTO METHOD STUDY OF ELECTRONIC STRUCTURE AND MAGNETISM OF NdFe10Mo2 COMPOUNDS WITH ThMn12 TYPE STRUCTURE |
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| QI SHOU-REN,HUANG XIAO-DONG,ZHANG YAN,HUANG XIN-TANG,CAN ZHONG-WEI and XIANG RONG.THE LMTO METHOD STUDY OF ELECTRONIC STRUCTURE AND MAGNETISM OF NdFe10Mo2 COMPOUNDS WITH ThMn12 TYPE STRUCTURE[J].Acta Physica Sinica,1996,45(8):1396-1401. |
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| Authors: | QI SHOU-REN HUANG XIAO-DONG ZHANG YAN HUANG XIN-TANG CAN ZHONG-WEI and XIANG RONG |
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| Abstract: | In this paper, LMTO method is described briefly. We applied it to calculate the electronic structure of NdFe10Mo2 with interstitial N atom which is related to the tetragonal ThMn12 structure. From the variation of density of states we can obtained the magnetic moment. The function about variation of magnetic moment after nitration is discussed and campared with calculated local magnetic moment. In NdFe10Mo2 compounds with interstitial N atom, the 8j site has its minimal magnetic moment. |
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