Laser & Optoelectronics Progress, Volume. 51, Issue 7, 71604(2014)

Study on Electronic Structure and Optical Properties of S-doped ZnO Using First-Principles

Han Weichao1、*, Zhang Song1, Duan Guangjie2, Li Mingjun2, Huang Lianshuai1, and Ou Manlin1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • show less

    The energy band structure, density of electronic state and absorption of S-doped wurtzite ZnO are investigated using first-principles based on density functional theory. These results indicate that the crystal lattice parameters increase with increasing doping ratio. Nevertheless, the electron mobility is enhanced as the band gap decreasing by S-doping. Optical properties further calculated show that, absorption spectrum shift to the red side after S-doping. Absorption spectrum peak increases with increasing of the S-doped amounts, so that the visible light and ultraviolet region of the light absorption are improved.

    Tools

    Get Citation

    Copy Citation Text

    Han Weichao, Zhang Song, Duan Guangjie, Li Mingjun, Huang Lianshuai, Ou Manlin. Study on Electronic Structure and Optical Properties of S-doped ZnO Using First-Principles[J]. Laser & Optoelectronics Progress, 2014, 51(7): 71604

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Category: Materials

    Received: Mar. 3, 2014

    Accepted: --

    Published Online: Jun. 24, 2014

    The Author Email: Weichao Han (hwchao1985@163.com)

    DOI:10.3788/lop51.071604

    Topics