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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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Bibliographic Details
Date:2020
Main Author: Talla, Jamal A.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2020
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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Ukrainian Journal of Physics

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