| Ce1-xYxFe2的电子结构和磁性质 |
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| 引用本文： | 唐成春,吴光恒,李养贤,詹文山.Ce1-xYxFe2的电子结构和磁性质[J].物理学报,2001,50(1):132-138. |
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| 作者姓名： | 唐成春 吴光恒 李养贤 詹文山 |
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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,北京100080 |
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| 基金项目： | 国家自然科学基金(批准号：59871062)资助的课题.
Project supported by the National Natural Science Foundation of China (Grant No.59871062). |
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| 摘 要： | 关键词：
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| 关 键 词： | 电子结构 自旋磁矩 稀土铁基金属间化合物 磁性质 第一性原理 |
| 修稿时间： | 2000年4月27日 |
ELECTRONIC STRUCTURE AND
MAGNETIC PROPERTIES OF Ce1-xYxFe2 COMPOUNDS |
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| Tang Cheng-chun,WU Guang-heng,LI Yang-Xian,Zhan Wen-Shan.ELECTRONIC STRUCTURE AND
MAGNETIC PROPERTIES OF Ce1-xYxFe2 COMPOUNDS[J].Acta Physica Sinica,2001,50(1):132-138. |
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| Authors: | Tang Cheng-chun WU Guang-heng LI Yang-Xian Zhan Wen-Shan |
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| Abstract: | Electronic structure and spin moment of Ce1-xYxFe2 are calculated using a fully self-consistent discrete variational method within the local density framework. These results are used to explain the effect of magnetic properties and magnetostriction on Ce-site substituted by Y in CeFe2. Stoner action obtained indicates that the local Fe magnetic moment provides mainly the weak ferromagnetism from CeFe2, and Ce-site local moment is unstable. The local magnetic moment of Fe-site depends strongly on the volume change of the investigated system, which does not noticeably affect the density of state and magnetic properties. The Ce-site substituted by Y results in two effects on electronic structure, that is, the descent of Fermi surface and the descent of the main peak of Ce 4f energy level. The competition of the two descents results in the fluctuation of Ce valence. |
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