Spontaneous polarization and piezoelectricity in boron nitride nanotubes

TL;DR

This study uses ab initio calculations to demonstrate that boron nitride nanotubes are highly effective piezoelectric materials, with their polarization properties influenced by symmetry breaking and interactions.

Contribution

It reveals how intrinsic symmetry and external factors affect spontaneous polarization and piezoelectricity in boron nitride nanotubes, highlighting their potential for applications.

Findings

BN nanotubes have larger piezoelectric response than polymers.

Intrinsic symmetry causes cancellation of polarization in ideal nanotubes.

Interactions and deformations induce significant polarization.

Abstract

Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The intrinsic chiral symmetry of the nanotubes induces an exact cancellation of the total spontaneous polarization in ideal, isolated nanotubes of arbitrary indices. Breaking of this symmetry by inter-tube interaction or elastic deformations induces spontaneous polarization comparable to those of wurtzite semiconductors.