| 团簇Co_2FeBP的磁性 |
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| 引用本文： | 孙冠男,方志刚,刘大永,王茂鑫,胡建聪.团簇Co_2FeBP的磁性[J].辽宁科技大学学报,2015(1):70-76. |
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| 作者姓名： | 孙冠男 方志刚 刘大永 王茂鑫 胡建聪 |
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| 作者单位： | 辽宁科技大学 化学工程学院,辽宁 鞍山,114051 |
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| 基金项目： | 2014年辽宁省大学生创新创业训练计划(201410146000036)；2012年辽宁省大学生创新创业计划项目(201310146011)；2013年辽宁省大学生创新创业计划项目(201300146027)；国家自然科学基金资助项目(50774044)。 |
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| 摘 要： | 对团簇Co2Fe BP中Co、Fe原子的平均磁矩进行研究分析,结果表明:Co、Fe原子的平均磁矩均小于其理论计算值和实验观测值,B、P原子的引入降低了Co、Fe的磁性;多重度对Co、Fe原子的平均磁矩影响较大,但对其改变量大致相同;随着各构型稳定性的降低,在单重态下,Co、Fe原子的平均磁矩出现振荡性变化,在三重态下,Co原子的平均磁矩呈振荡性,而Fe原子呈单峰状;Co原子的平均磁矩在不同多重度下均变化不大,这与文献报道相一致;构型4(3)的Co原子平均磁矩最大,构型3(3)的Fe原子平均磁矩最大。
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| 关 键 词： | 团簇Co2FeBP 稳定结构 磁性 |
Study on magnetic property of cluster Co2FeBP |
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| SUN Guannan,FANG Zhigang,LIU Dayong,WANG Maoxin,HU Jiancong.Study on magnetic property of cluster Co2FeBP[J].Journal of University of Science and Technology Liaoning,2015(1):70-76. |
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| Authors: | SUN Guannan FANG Zhigang LIU Dayong WANG Maoxin HU Jiancong |
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| Abstract: | The average magnetic moment of Co and Fe atoms in cluster Co2FeBP is analyzed,the results show that:the average magnetic moments of Co and Fe atoms are all less than the theoretical calculation value and experimental observation value,the adding of B and P atoms reduces the magnetic property of Co and Fe at-oms,multiplets have influences on the average magnetic moment of Co and Fe atoms,but the changes are roughly same. With the decreasing of the configuration stability,the average magnetic moments of Co and Fe atoms show changes of oscillation at the singlet,but the Co’s shows changes of oscillation,the Fe’s shows the single peak at the triplet,the average magnetic moment of Co atom changes little at singlet and triplet, which is consistent with the related report. The biggest average magnetic moment of Co atom is geometry 4(3) of triplet,the biggest average magnetic moment of Fe atom is geometry 3(3)of triplet. |
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| Keywords: | cluster Co2FeBP stable structure magnetic property |
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