Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Tuning the electrical conductivity of nanotube-encapsulated metallocene wires.
AU - García-Suárez, Victor M.
AU - Ferrer, Jaime
AU - Lambert, Colin J.
N1 - Metallocenes are molecules composed of a transition metal atom, sandwiched between two aromatic rings. This paper provides a first analysis of the spintronic properties molecular wires, formed by encapsulating metallocene molecules inside carbon nanotubes and has stimulated a joint experimental project between NPL and Oxford. RAE_import_type : Journal article RAE_uoa_type : Physics
PY - 2006/3/17
Y1 - 2006/3/17
N2 - We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, which are based on a combination of nonequilibrium Green function techniques and density functional theory, indicate that these wires can be engineered to exhibit desirable magnetotransport effects for use in spintronics devices. The proposed structures should also be resilient to room-temperature fluctuations, and are expected to have a high yield.
AB - We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, which are based on a combination of nonequilibrium Green function techniques and density functional theory, indicate that these wires can be engineered to exhibit desirable magnetotransport effects for use in spintronics devices. The proposed structures should also be resilient to room-temperature fluctuations, and are expected to have a high yield.
KW - organometallic compounds
KW - Fermi level
KW - carbon nanotubes
KW - electrical conductivity
KW - Green's function methods
KW - density functional theory
KW - galvanomagnetic effects
KW - magnetoelectronics
U2 - 10.1103/PhysRevLett.96.106804
DO - 10.1103/PhysRevLett.96.106804
M3 - Journal article
VL - 96
SP - 106804
JO - Physical review letters
JF - Physical review letters
SN - 1079-7114
IS - 10
ER -