First principles study the ferromagnetic properties and electronic structure of boron doped ZnSe
文献类型：期刊论文
| 作者 | S. W. Fan ; L. J. Ding ; Z. L. Wang ; K. L. Yao |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2012 |
| 卷号 | 152期号:16页码:1551-1555 |
| ISSN号 | 0038-1098 |
| 关键词 | Diluted magnetic semiconductor Ferromagnetic properties Electronic structure thin-films room-temperature magnetism tio2 anatase zno origin gan |
| 中文摘要 | Using the full-potential linearized augmented plane wave method with generalized gradient approximation, the magnetic properties and the electronic structure of the boron-doped ZnSe (zinc blende phase) are investigated. Spin polarization calculations show the magnetic moment of the 64-atoms supercell containing one B-se (B-zn) is 3.00 (0.015)mu(B). The density of states indicates the magnetic moments of the B-se doped configuration mainly come from the doped boron atoms and a few from its neighboring zinc atoms. The ferromagnetic and antiferromagnetic calculations for several doped configurations suggest B-se could induce stable ferromagnetic ground state in ZnSe hosts and ferromagnetic couplings exist between the doped boron atoms. Electronic structures show that B-se is p-type ferromagnetic semiconductor and hole-mediated double exchange is responsible for the ferromagnetism, while the B-zn doped configuration is n-type semiconductor. Relative shallow acceptor and donor levels indicate boron-doped ZnSe is ionized easily at working temperatures. (C) 2012 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59938]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | S. W. Fan,L. J. Ding,Z. L. Wang,et al. First principles study the ferromagnetic properties and electronic structure of boron doped ZnSe[J]. Solid State Communications,2012,152(16):1551-1555. |
| APA | S. W. Fan,L. J. Ding,Z. L. Wang,&K. L. Yao.(2012).First principles study the ferromagnetic properties and electronic structure of boron doped ZnSe.Solid State Communications,152(16),1551-1555. |
| MLA | S. W. Fan,et al."First principles study the ferromagnetic properties and electronic structure of boron doped ZnSe".Solid State Communications 152.16(2012):1551-1555. |
入库方式： OAI收割
来源：金属研究所
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