First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

The electronic structures and optical characteristics of yttrium (Y)-doped ZnO monolayers (MLs) with vacancy (zinc vacancy, oxygen vacancy) were investigated by the first-principles density functional theory. Calculations were performed with the GGA+U (generalized gradient approximation plus U) appr...

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Veröffentlicht in:Materials (Basel)
Hauptverfasser: Wu, Qian, Wang, Ping, Liu, Yan, Yang, Han, Cheng, Jingsi, Guo, Lixin, Yang, Yintang, Zhang, Zhiyong
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2020
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7040613/
https://ncbi.nlm.nih.gov/pubmed/32033442
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma13030724
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