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First Principles Prediction of the Magnetic Properties of Fe-X(6) (X = S, C, N, O, F) Doped Monolayer MoS(2)
Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X(6) clusters (X = S, C, N, O, and F) incorporated in 4 × 4 monolayer MoS(2), where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3913919/ https://www.ncbi.nlm.nih.gov/pubmed/24496406 http://dx.doi.org/10.1038/srep03987 |