Possible origin of ferromagnetism in un-doped ZnO: First-principles calculations

被引：14
|
作者：
Lin, Xue-ling
Yan, Shi-shen [1 ]
Zhao, Ming-wen
Hu, Shu-jun
Han, Chong
Chen, Yan-xue
Liu, Guo-lei
Dai, You-yang
Mei, Liang-mo
机构：
[1] Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China
来源：
PHYSICS LETTERS A | 2011年 / 375卷 / 03期
关键词：
ZnO; Ferromagnetism; First-principles calculations;
D O I：
10.1016/j.physleta.2010.11.016
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We performed first-principles calculations to investigate the electronic structures and magnetic properties of neutral and charged intrinsic defects of wurtzite ZnO. Our results show that an isolated single charged Zn vacancy can introduce a magnetic moment of 1.00 mu(B), and may be responsible for the unexpected ferromagnetism in the system. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：638 / 641
页数：4
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