Document Detail

First-principles study of magnetic properties in Mo-doped graphene.
MedLine Citation:
PMID:  21841239     Owner:  NLM     Status:  Publisher    
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 μ(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.
Jun Kang; Hui-Xiong Deng; Shu-Shen Li; Jingbo Li
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-8-12
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  23     ISSN:  1361-648X     ISO Abbreviation:  -     Publication Date:  2011 Aug 
Date Detail:
Created Date:  2011-8-15     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  -    
Other Details:
Languages:  ENG     Pagination:  346001     Citation Subset:  -    
State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors,Chinese Academy of Sciences, PO Box 912, Beijing 100083, People's Republic of China.
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