Document Detail


The magnetic and quantum transport properties of benzene-vanadium-borazine mixed sandwich clusters: a new kind of spin filter.
MedLine Citation:
PMID:  23044517     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Using density functional theory and the non-equilibrium Green's function technique, we performed theoretical investigations on the magnetic and quantum transport properties of benzene-vanadium-borazine mixed organic/inorganic ligand sandwich clusters. The calculated results show that these finite sandwich clusters coupled to Ni electrodes exhibit novel quantum transport properties such as half-metallicity, negative differential resistance and spin-reversal effect, and can be viewed as a new kind of spin filter. However, for the infinite molecular wire, the ground state was identified as a ferromagnetic semiconductor with high stability. These findings suggest that the mixed organic/inorganic ligand sandwich clusters and molecular wires are promising materials for application in molecular electronics and spintronics.
Authors:
Zhi Yang; Shaoding Liu; Xuguang Liu; Yongzhen Yang; Xiuyan Li; Shijie Xiong; Bingshe Xu
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-10-09
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  24     ISSN:  1361-648X     ISO Abbreviation:  J Phys Condens Matter     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-10-9     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  -    
Other Details:
Languages:  ENG     Pagination:  445501     Citation Subset:  -    
Affiliation:
College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024, People's Republic of China. Key Lab of Advanced Transducers and Intelligent Control System of Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, People's Republic of China.
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