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Band Structure Engineering and Optical Properties of Pristine and Doped Monoclinic Zirconia (m-ZrO(2)): Density Functional Theory Theoretical Prospective
[Image: see text] Recently, monoclinic ZrO(2) has received great technological importance because of its remarkable dielectric properties, high chemical stability, and high melting point. Herein, we introduce first-principles calculations using the Hubbard approach (DFT + U) to study the effects of...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582270/ https://www.ncbi.nlm.nih.gov/pubmed/34778677 http://dx.doi.org/10.1021/acsomega.1c04756 |