Electronic and structural properties of two mirrored boron-nitride nanocones with 240º disclination

• Autor(a) principal: Machado,M.
• Data de Publicação: 2009
• Outros Autores: Larkin,I. A., Piquini,P.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Brazilian Journal of Physics
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000200020
• topic: electronic structure; nanomaterials; nanocones; boron and nitrogen

We studied, through first-principles calculations based on the density functional theory, the charge distribution, the density of states and the tip rearrangement of two mirrored boron nitride nanocones with 240 disclination angles and separated from each other from 2 , 3 and 10 under the influence of an external electric field ranging from 0.5 V/ to 1.1 V/ applied along the axis. Changes at the charge distribution, density of states and tip configuration were observed with the variation of the cones separation distance and the magnitude of the external electric field.