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.
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