Uniaxial strain modulated band gap of ZnO nanostructures

摘要

Influence of the uniaxial strain on the electronic structures of ZnO nanowires (NWs) and nanotubes (NTs) has been studied using the density functional theory. It was found that the uniaxial compress strain can lead to a band gap transition from direct to indirect band for both ZnO NWs and NTs. Under the same strain, the phase transition of the thick NW is easier than that of the thin one, and the phase transition of NWs seems easier than that of NTs. These results suggested the uniaxial strain can be used to tune the band structures of ZnO nanostructures, which may be help for design of ZnO-based nanodevices.