First-principle study on the effect of high Ag–2N co-doping on the conductivity of ZnO

Release Time:2025-04-30  Hits:

• Date:2025-04-30
• Title of Paper:First-principle study on the effect of high Ag–2N co-doping on the conductivity of ZnO
• Journal:BULLETIN OF MATERIALS SCIENCE
• Summary:The geometric structure, band structure (BS) and density of state (DOS) of pure and p-type co-doping
  wurtzite ZnO have been investigated by the first-principle ultrasoft pseudopotential method with the generalized
  gradient approximation. These structures induce fully occupied defect states above the valence-band maximum
  of doped ZnO. The calculation results show that in the range of high doping concentration, when the co-doping
  concentration is more than a certain value, the conductivity decreased with the increase of co-doping concentration
  of Ag–2N in ZnO. Our findings suggest that co-doping of Ag–2N could efficiently enhance the N dopant solubility
  and is likely to yield better p-type conductivity.
• Co-author:W. X. Zhang, Y. X. Bai, C. He, X. L. Wu
• Volume:38,747
• Translation or Not:No
• Date of Publication:2015-07-01