Breakdown of continuum elasticity due to electronic effects in gold nanotubes

Abstract

A recent experiment reports a creation of goldene, which is two-dimensional gold with hexagonal structure. By rolling up the goldene, gold nanotubes (GNT) should exist, but their structural and electronic properties are not understood well. Based on first-principles calculations, we demonstrate a breakdown of inverse square law, wherein the curvature energy stored in a GNT decreases with the inverse square of the GNT radius. This is due to the enhanced curvature energy in specific GNTs having nearly flat bands around the Fermi level. We show that the electron states on the flat band of GNT reflect those on the Fermi surface of goldene by using the Bloch and geometric boundary conditions, and that in-plane character of the latter states enhances the curvature energy.