| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1496732 | Optical Materials | 2010 | 4 Pages |
Abstract
The electronic structures of C, C–Al and C–Ga doped ZnO were investigated from the first-principles based on density functional theory (DFT). It was found that the C-doped ZnO where 1/8 Os are substituted by C is p-type with hole carriers locating nearby valence band maximum. Moreover, the Madelung energy increases in this case. Incorporating the reactive donor Al or Ga into C-doped ZnO system at Zn sites, not only enhances the C acceptor concentration, but also gets a shallower C acceptor energy level in the band gap in p-type codoped ZnO crystals and decreases the Madelung energy.
Related Topics
Physical Sciences and Engineering
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Authors
Chunying Zuo, Jing Wen, Shenglong Zhu, Cheng Zhong,