Tuning the electrical conductivity of nanotube-encapsulated metallocene wires

Abstract

We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, that are based on a combination of non-equilibrium 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.

arXiv comment4 pages, 6 figures. Accepted in Physical Review Letters

References in corpus (4)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Density functional method for nonequilibrium electron transport
• Conductance oscillations in zigzag platinum chains

Cited by in corpus (6)

• Fine-tuning the functional properties of carbon nanotubes via the interconversion of encapsulated molecules
• First-principles scheme for spectral adjustment in nanoscale transport
• Strongly correlated electron physics in nanotube-encapsulated metallocene chains
• The Structural, Energetic and Electronic Properties of Doped Carbon Nanotubes by Encapsulation of MCp2 (M=Fe, Co, Ni): a Theoretical Investigation
• Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes
• The effect of vacancy-induced magnetism on electronic transport in armchair carbon nanotubes