Magnetic and electronic properties of Cr, Mn, and Fe adatoms on Si(001): A first-principles study
文献类型：期刊论文
| 作者 | Niu, CY ; Wang, JT |
| 刊名 | SOLID STATE COMMUNICATIONS
 |
| 出版日期 | 2012 |
| 卷号 | 152期号:2页码:127 |
| 关键词 | AUGMENTED-WAVE METHOD SURFACE SPECTROSCOPY SILICIDE SI(100) GROWTH |
| ISSN号 | 0038-1098 |
| 通讯作者 | Wang, JT: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100190, Peoples R China. |
| 中文摘要 | The magnetic and electronic properties of TM (TM = Cr, Mn, and Fe) adatoms adsorption on Si(001) surface are studied by means of the first-principles method. For the adsorption of a single TM atom on Si(001), we obtain decreasing spin moments and increasing adsorption energies as TM varies from Cr to Fe. In the case of TM dimers adsorption, the calculated results show that the spin coupling changes from antiferromagnetic (AFM) to ferromagnetic (FM) as the 3d electrons increased. AFM coupling is found to be preferred for Cr, while FM coupling is energetically favorable for Mn and Fe. In the case of TM wires, we find that the FM state is energetically preferred for Mn and Fe atoms on the Si(001) surface, while for Cr wires, the up-down-up state for P-M-M site Cr atoms seems to be more energy favorable. We also find that the silicon surfaces become metallic for the adsorption of TM wires. (C) 2011 Elsevier Ltd. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | NSFC of China [10974230]; Ministry of Environmental Protection of China [200909086, 201109037] |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/41133]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Niu, CY,Wang, JT. Magnetic and electronic properties of Cr, Mn, and Fe adatoms on Si(001): A first-principles study[J]. SOLID STATE COMMUNICATIONS,2012,152(2):127. |
| APA | Niu, CY,&Wang, JT.(2012).Magnetic and electronic properties of Cr, Mn, and Fe adatoms on Si(001): A first-principles study.SOLID STATE COMMUNICATIONS,152(2),127. |
| MLA | Niu, CY,et al."Magnetic and electronic properties of Cr, Mn, and Fe adatoms on Si(001): A first-principles study".SOLID STATE COMMUNICATIONS 152.2(2012):127. |
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来源：物理研究所
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