Linked Life Data

21406839

Source:http://linkedlifedata.com/resource/pubmed/id/21406839

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
2
pubmed:dateCreated
2011-3-16
pubmed:abstractText
The electronic structure and transport property of a carbon chain between two graphene nanoribbon leads are studied using an ab initio tight-binding (TB) model and Landauer's formalism combined with a non-equilibrium Green's function. The TB Hamiltonian and overlap matrices are extracted from first-principles density functional calculations through the quasi-atomic minimal basis orbital scheme. The accuracy of the TB model is demonstrated by comparing the electronic structure from the TB model with that from first-principles density functional theory. The results of electronic transport on a carbon atomic chain connected to armchair and zigzag graphene ribbon leads, such as different transport characters near the Fermi level and at most one quantized conductance, reveal the effect of the electronic structure of the leads and the scattering from the atomic chain. In addition, bond length alternation and an interesting transmission resonance are observed in the atomic chain connected to zigzag graphene ribbon leads. Our approach provides a promising route to quantitative investigation of both the electronic structure and transport property of large systems.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0953-8984
pubmed:author
pubmed:issnType
Print
pubmed:day
19
pubmed:volume
23
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
025302
pubmed:meshHeading
pubmed:year
2011
pubmed:articleTitle
Electronic structure and transport of a carbon chain between graphene nanoribbon leads.
pubmed:affiliation
Ames Laboratory-US DOE, and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, Non-P.H.S., Research Support, Non-U.S. Gov't