Tuning the electrical conductivity of nanotube-encapsulated metallocene wires

TL;DR

This paper explores the design of carbon nanotube-based molecular wires with encapsulated metallocenes, demonstrating their potential for spintronics applications through computational simulations.

Contribution

It introduces a new family of nanotube-encapsulated metallocene wires and analyzes their magnetotransport properties using advanced simulation techniques.

Findings

Wires can be engineered for desirable magnetotransport effects

Structures are resilient to room-temperature fluctuations

High yield expected in fabrication

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.