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First-principles study of half-metallicity in semi-hydrogenated BC(3), BC(5), BC(7), and B-doped graphone sheets
Using first principles calculations, we investigate the electronic structures of semi-hydrogenated BC(3), BC(5), BC(7), and B-doped graphone sheets. We find that all the semi-hydrogenated boron-carbon sheets exhibit half-metallic behaviors. The magnetism originates from the non-bonding p(z )orbitals...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3211247/ https://www.ncbi.nlm.nih.gov/pubmed/21711690 http://dx.doi.org/10.1186/1556-276X-6-190 |