Electromechanical properties and piezoelectric potentials of one-dimensional GaN nanostructures: A bond relaxation investigation

From the viewpoint of atomic bond relaxation, an analytical approach was put forward to elucidate the physical origins of crystal size and cross-sectional shape dependency of piezoelectric potentials in GaN nanowires and nanotubes. It is demonstrated that (i) size-induced increase in piezoelectric potential is attributed to the coupling effect of the rising piezoelectric coefficient and both the reducing dielectric constant and elastic constant caused by the surface atomic coordination number loss, bond energy perturbation, and surface-to-volume ratio rising; (ii) as the number of sides for polygonal nanowires or nanotubes with the same equivalent radius decreases, the surface-to-volume ratio rises, and the piezoelectric potential increases; and (iii) the nanotubes can generate a piezoelectric potential higher than their nanowire counterparts due to their larger surface-to-volume ratios. The proposed formulation offers a scientific basis for the fabrication, optimization, and modulation of one-dimensional GaN-based piezoelectric nanometer devices.