English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/8499
Compartir / Impacto:
Estadísticas
Add this article to your Mendeley library MendeleyBASE
Citado 34 veces en Web of Knowledge®  |  Ver citas en Google académico
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar otros formatos: Exportar EndNote (RIS)Exportar bibText (RIS)Exportar csv (RIS)
Título

Half-metallic finite zigzag single-walled carbon nanotubes from first principles

Autor Mañanes, A.; Duque, F.; Ayuela, Andrés ; López, M. J.; Alonso, J. A.
Palabras clave Ab initio calculations
Antiferromagnetic materials
Carbon nanotubes
Density functional theory
Elemental semiconductors
Energy gap
Ground states
Localised states
Magnetic semiconductors
Magnetic structure
Semiconductor nanotubes
Fecha de publicación 17-jul-2008
EditorAmerican Physical Society
Citación Physical Review B 78, 035432 (2008)
ResumenDensity-functional calculations predict half-metallicity in zigzag single-walled carbon nanotubes of finite length with the two ends saturated with hydrogen. We have analyzed the change of the α- and β-spin electronic gaps under the influence of an electric field applied along the nanotube axis. The half-metallic behavior, in which the electronic gap is zero for one spin flavor and nonzero for the other, is obtained for a critical electric field of 3.0/w V/Å, where w is the length of the nanotube. This critical field is the same as that predicted for graphene nanoribbons. By a detailed analysis of the spin structure of the ground state, we show the relevance of the edge states, electronic states spatially localized at the carbon atoms of the nanotube boundaries, on the on-set of half-metallicity, and on the magnetic properties of the finite semiconducting zigzag nanotubes.
Descripción 10 pages, 15 figures.-- PACS nrs.: 73.22.-f, 75.75.+a, 72.80.Rj, 85.75.-d.
Versión del editorhttp://dx.doi.org/10.1103/PhysRevB.78.035432
URI http://hdl.handle.net/10261/8499
DOI10.1103/PhysRevB.78.035432
ISSN1098-0121
Aparece en las colecciones: (CFM) Artículos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato  
Half_metallic_nanotubes.pdf922,58 kBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo
 



NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.