Nanotube Piezoelectricity

TL;DR

This study investigates the piezoelectric properties of boron nitride nanotubes using computational methods, revealing dependence on chirality and diameter, and highlighting fundamental differences from bulk materials.

Contribution

It introduces a combined ab initio, tight-binding, and analytical approach to understand nanotube piezoelectricity, emphasizing the role of structure and symmetry.

Findings

Piezoelectricity depends on nanotube chirality and diameter.

Coupling between uniaxial and shear deformation occurs only in low-symmetry nanotubes.

Nanotube piezoelectricity differs fundamentally from bulk material behavior.

Abstract

We combine ab initio, tight-binding methods and analytical theory to study piezoelectric effect of boron nitride nanotubes. We find that piezoelectricity of a heteropolar nanotube depends on its chirality and diameter and can be understood starting from the piezoelectric response of an isolated planar sheet, along with a structure specific mapping from the sheet onto the tube surface. We demonstrate that coupling between the uniaxial and shear deformation are only allowed in the nanotubes with lower chiral symmetry. Our study shows that piezoelectricity of nanotubes is fundamentally different from its counterpart in three dimensional (3D) bulk materials.