Pressure Effects on the Atomic and Electronic Structure of Aligned Small Diameter Carbon Nanotubes

TL;DR

This study uses density functional theory to explore how hydrostatic pressure affects the electronic and structural properties of small-diameter aligned carbon nanotubes, revealing pressure-induced phase transitions and novel structures.

Contribution

It provides new insights into pressure-induced electronic transitions and structural changes in small-diameter carbon nanotubes, including the discovery of novel unit cell configurations.

Findings

Pressure induces semiconductor-metal transitions.

Formation of interlinking nanotube structures at high pressures.

Observation of novel nanotube cross-sections.

Abstract

Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor transitions concomitant with changes in structure are observed. Novel and unexpected unit cell nanotube cross-sections are found. These tubes are observed to form interlinking structures at very high pressures. The large changes in electronic structure and the ability of different small diameter nanotubes to respond in different pressure regimes suggest their use in high pressure multiple switching devices.