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Journal article

Efficient spin filtering through cobalt-based extended metal atom chains.

Abstract:

Density functional theory in conjunction with nonequilibrium Green's functions has been used to explore charge transport through the cobalt-based extended metal atom chain, Co(3)(dpa)(4)(NCS)(2). The isolated molecule has a doublet ground state, and the singly occupied sigma nonbonding orbital proves to be the dominant transport channel, providing spin filtering efficiencies in excess of 90%. The metal chain differs from typical organic conductors in that the pi orbitals that form the contact...

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Publication status:
Published

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Publisher copy:
10.1021/ic100493t

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Journal:
Inorganic chemistry
Volume:
49
Issue:
12
Pages:
5591-5597
Publication date:
2010-06-05
DOI:
EISSN:
1520-510X
ISSN:
0020-1669
URN:
uuid:c01e08f0-11e2-432a-a8f4-523d511ef39d
Source identifiers:
58608
Local pid:
pubs:58608
Language:
English

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