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Inducing Half-Metallicity in Monolayer MoSi(2)N(4)
[Image: see text] First-principles calculations are performed for the recently synthesized monolayer MoSi(2)N(4) [Science 369, 670–674 (2020)]. We show that N vacancies are energetically favorable over Si vacancies, except for Fermi energies close to the conduction band edge in the N-rich environmen...
| 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/PMC8600515/ https://www.ncbi.nlm.nih.gov/pubmed/34805668 http://dx.doi.org/10.1021/acsomega.1c03444 |