铁原子簇的磁性和几何结构研究  

STUDY ON THE EXCHANGE SPLITTING AND MAGNETISM OF IRON CLUSTERS

作　　者：董建敏[1] 孙美坤[1] 王守国[1] 李华[1] 

机构地区：[1]山东大学,济南250100

出　　处：《青岛大学学报（自然科学版）》2000年第3期59-61,共3页Journal of Qingdao University(Natural Science Edition)

摘　　要：用MS-Xα方法研究了Fe8原子簇（具有D6h对称）和Fe15原子簇（具有Oh对称）的电子结构，结果表明：（1）两种原子簇中的Fe原子磁矩及其d能带中的交换劈裂性质互不相同；（2）两类原子簇中的电荷分布不是均匀的，电荷倾向于从外围原子向内部原子上转移，并且被转移电子的自旋方向(正自旋或负自旋)与原子簇的对称性质密切相关。The electronic structures of cluster Fe8 with D6h symmetry and Fe15 with Oh sysmmetry have been studied by MS-X( method..The results show that(1) the exchange splittings of the d-band and the magnetic moments of the Fe-atoms are different in the two clusters;(2)the change distribution in both clusters is not uniform,showing that the electrons are transferred from peripheral atoms to inner atoms,and the spin-direction(up or down)of the electrons transferred is in accordance with the symmetric characteristics of the clusters.

关 键 词：铁原子簇 电子结构 原子磁矩 磁性 几何结构 

分 类 号：O562.2[理学—原子与分子物理] O614.811[理学—物理]