Reference : Spin transport in carbon nanotubes with magnetic vacancy-defects
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/101218
Spin transport in carbon nanotubes with magnetic vacancy-defects
English
Zanolli, Zeila mailto [Université Catholique de Louvain - UCL > > > >]
Charlier, Jean-Christophe [Université Catholique de Louvain - UCL > > > >]
2010
Physical Review. B, Condensed Matter and Materials Physics
American Physical Society
81
16
Yes (verified by ORBi)
International
1098-0121
1550-235X
Woodbury
NY
[en] The spin-polarized electron transport properties of metallic carbon nanotubes containing vacancies are investigated using first-principles and nonequilibrium Green’s function techniques. Reconstructed mono- and trivacancies, containing carbon atoms with unsaturated bonds, behave like quasilocalized magnetic impurities. However, in conventional ab initio simulations, these magnetic defects are artificially repeated periodically (supercell method) and are thus incorrectly coupled by long range interactions. Consequently, a technique based on an open system with an isolated magnetic impurity is used here to accurately describe the local magnetic properties of these defects, revealing spin-dependent conductances in tubes, which could be exploited in spintronic nanodevices.
Researchers
http://hdl.handle.net/2268/101218
10.1103/PhysRevB.81.165406
http://prb.aps.org/abstract/PRB/v81/i16/e165406

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