Investigation of Electronic and Optical Properties of Al/Ag and Al/N Co-Implanted ZnO Thin Films

Abstract

Either metal/metal or metal/non-metal co-doping is one of the most effective methods to modulate the visible emission of ZnO. In this paper, ZnO, aluminum-doped ZnO (Al-ZnO), aluminum and silver co-doped ZnO (Al/Ag-ZnO), and aluminum and nitrogen co-doped ZnO (Al/N-ZnO) are deposited. Combining the substitution of zinc ions using Al and/or Ag doping and the substitution of oxygen ions using N doping is expected to introduce more interstitial zinc and oxygen vacancy defects related to visible light emission in ZnO films. The results indicate that the PL spectrum of ZnO shows a violet emission peak at 406 nm and other weak visible emission peaks. After Al doping, we observe a strong blue emission at 421 nm, and its intensity is further enhanced and attains the maximum for Al/N-ZnO. However, for Al/Ag-ZnO, the blue emission shifts toward a longer wavelength, and the intensity of the blue emission conversely decreases. Then, the band structures, the density of states (DOS), the partial density of states (PDOS), and the optical constant of doped ZnO are calculated using density functional theory (DFT). Based on the experimental and theoretical results, the enhancement mechanism of visible light is discussed.