Small FenMn clusters: Magnetic order and magnetic moment

被引：11

作者：

Wang, Bao-Ru ^{[1
,2
,3
,4
]}

Ma, Qing-Min ^{[1
,2
,4
]}

Liu, Ying ^{[1
,2
,4
]}

Li, You-Cheng ^{[1
,2
]}

机构：

[1] Hebei Normal Univ, Dept Phys, Shijiazhuang 050016, Hebei, Peoples R China

[2] Hebei Adv Thin Film Lab, Shijiazhuang 050016, Hebei, Peoples R China

[3] Hebei Univ Sci & Technol, Coll Sci, Shijiazhuang 050018, Hebei, Peoples R China

[4] Natl Key Lab Mat Simulat & Design, Beijing 100083, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2009年 / 149卷 / 5-6期

基金：

中国国家自然科学基金;

关键词：

Iron-Manganese Clusters; Magnetic ordering; Density functional theory; NICKEL CLUSTERS; IRON CLUSTERS; DENSITY; STABILITIES; TRANSITION; MOLECULES; COBALT; ATOMS;

D O I：

10.1016/j.ssc.2008.11.020

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The effects of a manganese atom on the magnetic order and magnetic moments of FenMn (n = 1-12) clusters have been investigated using the all-electron density functional theory. The results reveal that the Fe-Mn couplings in the lowest-energy structures of Fe,, Mn (n = 1-12) clusters undergo a change from ferromagnetic ordering for the smallest (n = 1. 2) clusters to ferrimagnetic ordering for the intermediate (n = 3-6) clusters. Starting from n = 7, however, ferromagnetic Fe-Mn couplings completely prevail. The low coordination number of the doped Mn atom results in it having a high spin moment in the Fe-Mn binary clusters, which exhibits a marked magnetic moment surface enhancement effect. (c) 2008 Elsevier Ltd. All rights reserved.

引用

页码：210 / 213

页数：4

共 39 条

[1] Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms [J].