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Accurate Prediction of Band Structure of FeS(2): A Hard Quest of Advanced First-Principles Approaches
The pyrite and marcasite polymorphs of FeS(2) have attracted considerable interests for their potential applications in optoelectronic devices because of their appropriate electronic and optical properties. Controversies regarding their fundamental band gaps remain in both experimental and theoretic...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8506039/ https://www.ncbi.nlm.nih.gov/pubmed/34650959 http://dx.doi.org/10.3389/fchem.2021.747972 |