Electromechanical properties of a zigzag ZnO nanotube under local torsion

Abstract

The electromechanical response of a single-walled zigzag ZnO nanotube under local torsion has been investigated using the density functional theory in combination with the nonequilibrium Green’s function method. Our results show that local torsional deformation can cause significant changes of the structural and electrical properties of the semiconducting ZnO nanotube. In the course of twisting, the ZnO nanotube undergoes the structural evolution of elastic and plastic deformation until complete failure, while the transport spectrum and the current–voltage characteristic also depend strongly on the applied torsion. The present results reveal the role of local torsion in tuning the properties of ZnO nanotube, which may prove useful for the design and implementation of one-dimensional ZnO nanostructures in nanoelectromechanical devices.