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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| 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 |