Abstract
We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn1–xSixO (0 ≤ x ≤ 12:5) system and comparisons are made with recently published experimental results. Further, we observed that, substituion of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.
| Translated title of the contribution | Electronic structures of silicon doped ZnO |
|---|---|
| Original language | English |
| Pages (from-to) | 1980 - 1985 |
| Journal | Physica B: Condensed Matter |
| Volume | 405 |
| DOIs | |
| Publication status | Published - Apr 2010 |
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