The Theoretical Research On Effects Of Defects On Photoelectric Properties Of ZNO Nanomaterials

Zinc Oxide (ZnO) has stable physical properties, wide and direct band gap and highexciton binding energy, therefore, it is supposed to one of hot research and largestapplication potential semiconductor oxide. Based on unique nanomaterials properties andthe advantage of ZnO material, ZnO nanomaterials show the unique performance in termsof optical properties and have promising application potentials in optoelectronics. A lot oftheoretical studies and empirical evidence show that ZnO is a n-type material due to itsnative defects such as zinc interstitials and oxygen vacancies, while the luminescenceproperties of ZnO could be changed by doping.In the paper, CASTEP module included in Materials Studio(MS) software is used tocalculate energy structure, density of state and optical properties of ZnO nanotubes(NTs)and nanowires(NWs). The optical properties of intrinsic and N doped ZnO nanotubes,intrinsic and oxygen vacancy ZnO nanowires are selective analyzed. While, theperformance of bulks and nanomaterial are distinguished and main reason are analyzed.The main contents of this paper are described as the following:First, this paper briefly expounds the research background, status and applicationprospect of ZnO materials. In addition, several types of ZnO structure are listed in thispaper. The research purpose and meaning are presented based on the research status.Second, this paper analyzes intrinsic and N doped ZnO bulks and nanotubes. Thelattice parameters and electron effective mass of intrinsic and N doped ZnO nanotubes arecompared. It is showed that N doping has effects on spectral broadening and anisotropy ofdielectric constant, refractive index, absorption coefficient of ZnO bulks and nanotubes.Finally, the ZnO nanowires models have been constructed based on the latticestructure of wurtzite ZnO. According to the change of lattice structures, the influences ofoxygen vacancy on electronic properties and optical properties of ZnO bulks andnanowires have been systematically analyzed by the CASTEP module, and especially thedifferent anisotropic behaviors of ZnO bulks and nanowires have been described in detail.