Theoretical study of Ga-based nanowires and the interaction of Ga with single-wall carbon nanotubes

TL;DR

This study uses first-principles calculations to explore gallium's ability to form stable, high-conducting nanowires and its interaction with carbon nanotubes, highlighting potential applications in nanoelectronics.

Contribution

It demonstrates the stability and high conductivity of Ga nanowires and details the interaction mechanisms between Ga atoms and SWNTs, including chemisorption and doping effects.

Findings

Ga can form stable metallic monatomic chains.

Ga interacts strongly with SWNTs, enabling continuous coverage.

Ga-coated SWNTs are stable and highly conductive.

Abstract

Gallium displays physical properties which can make it a potential element to produce metallic nanowires and high-conducting interconnects in nanoelectronics. Using first-principles pseudopotential plane method we showed that Ga can form stable metallic linear and zigzag monatomic chain structures. The interaction between individual Ga atom and single-wall carbon nanotube (SWNT) leads to a chemisorption bond involving charge transfer. Doping of SWNT with Ga atom gives rise to donor states. Owing to a significant interaction between individual Ga atom and SWNT, continuous Ga coverage of the tube can be achieved. Ga nanowires produced by the coating of carbon nanotube templates are found to be stable and high conducting.