| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1862362 | Physics Letters A | 2012 | 4 Pages |
Abstract
⺠We calculate the electronic structure and formation energies of N-doped CuAlO2 using first-principles calculations. ⺠The N atom prefers to substitute an O atom rather than to occupy an interstitial site. ⺠The NO acts as a shallow accepter while the Ni acts as a deep accepter. ⺠After N doping, the fundamental band gap remains unchanged.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Ying Xu, Zhi Min Ao, Ding Wang Yuan,