Structural and electrical properties of armchair CdS nanotubes

摘要

A systematic study of geometrical structures and electrical properties of CdS nanotubes is carried out within the density functional formalism. Geometrical and electrical properties such as wall thickness, curvature, stability, bandgap energies, work functions and charge redistribution analysis are done for CdS nanotubes with varied diameter for understanding their character. It is found that all the tubes remain hollow even after complete relaxation and their work function, bandgap as well as wall thickness decreases with increasing diameter. Some of these findings are in agreement with experimental observation that thermionic emission enhances with decreasing wall thickness of CdS nanotubes.