Insights into the Impact of Yttrium Doping at the Ba and Ti Sites of BaTiO(3) on the Electronic Structures and Optical Properties: A First-Principles Study

[Image: see text] We reported a systematic study of the effects of Y doping BaTiO(3) at Ba and Ti sites. We assessed the structural, electronic, and optical properties by employing first-principles calculations within the Tran–Blaha-modified Becke–Johnson (TB–mBJ) potential and generalized gradient...

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Detalles Bibliográficos
Autores principales: Alshoaibi, Adil, Kanoun, Mohammed Benali, Ul Haq, Bakhtiar, AlFaify, Salem, Goumri-Said, Souraya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7331034/
https://www.ncbi.nlm.nih.gov/pubmed/32637825
http://dx.doi.org/10.1021/acsomega.0c01638

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7331034/
https://www.ncbi.nlm.nih.gov/pubmed/32637825
http://dx.doi.org/10.1021/acsomega.0c01638

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