Електронні властивості легованого вурциту ZnO в теорії функціонала щільності
We implemented the density functional theory to inspect the electronic properties of pristine and nitrogen-doped wurtzite ZnO. We use the Hubbard U (DFT + Ud + Up) method to correct any underestimation in the band gap. The obtained band gap is consistent with previous experimental results. Here, we...
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| Date: | 2020 |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2020
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| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019468 |
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| Journal Title: | Ukrainian Journal of Physics |
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