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...

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Detalles Bibliográficos
Autores principales: Ding, Yi, Wang, Yanli, Ni, Jun, Shi, Lin, Shi, Siqi, Li, Chaorong, Tang, Weihua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer 2011
Materias:
Nano Express
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

Internet

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

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