First-principles study of magnetic properties in mo-doped graphene | |
Kang, Jun; Deng, Hui-Xiong; Li, Shu-Shen; Li, Jingbo | |
刊名 | Journal of physics-condensed matter |
2011-08-31 | |
卷号 | 23期号:34页码:6 |
ISSN号 | 0953-8984 |
DOI | 10.1088/0953-8984/23/34/346001 |
通讯作者 | Li, jingbo(jbli@semi.ac.cn) |
英文摘要 | The geometric structure, electronic structure and magnetic properties of substitutionally mo-doped graphene are studied based on first-principles calculations. mo introduces a magnetic moment of 2 mu(b) in graphene. the magnetic properties and band structure can be well understood using a hybridization model. magnetic coupling between two mo impurities is also discussed. depending on the relative position of the two mo impurities, the ground state of the system can be ferromagnetic, antiferromagnetic or paramagnetic. a ruderman-kittel-kasuya-yosida (rkky)-like behavior is observed when the distance between mo atoms is relatively large. however, when the distance between mo atoms is rather small, the rkky model is not suitable to describe the magnetic ordering due to their non-neglectable direct interactions. |
WOS关键词 | 1ST PRINCIPLES ; METAL ATOMS |
WOS研究方向 | Physics |
WOS类目 | Physics, Condensed Matter |
语种 | 英语 |
出版者 | IOP PUBLISHING LTD |
WOS记录号 | WOS:000294061500018 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/2428206 |
专题 | 半导体研究所 |
通讯作者 | Li, Jingbo |
作者单位 | Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China |
推荐引用方式 GB/T 7714 | Kang, Jun,Deng, Hui-Xiong,Li, Shu-Shen,et al. First-principles study of magnetic properties in mo-doped graphene[J]. Journal of physics-condensed matter,2011,23(34):6. |
APA | Kang, Jun,Deng, Hui-Xiong,Li, Shu-Shen,&Li, Jingbo.(2011).First-principles study of magnetic properties in mo-doped graphene.Journal of physics-condensed matter,23(34),6. |
MLA | Kang, Jun,et al."First-principles study of magnetic properties in mo-doped graphene".Journal of physics-condensed matter 23.34(2011):6. |
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