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https://repositorio.ufba.br/handle/ri/5839
metadata.dc.type: | Artigo de Periódico |
Título : | Electronic structure of defects in a boron nitride monolayer |
Otros títulos : | European Physical Journal B |
Autor : | Azevedo, Sérgio Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito |
metadata.dc.creator: | Azevedo, Sérgio Kaschny, J. R. Castilho, Caio Mário Castro de Mota, F. de Brito |
Resumen : | We investigate, using first-principles calculations, the electronic structure of substitutional and vacancy defects in a boron nitride monolayer. We found that the incorporation of a substitutional carbon atom induces appreciable modification on the electronic properties, when compared to a non-defective boron nitride sheet. The incorporation of substitutional carbon impurity also induces a significant reduction of the work function. In addition, we found that defects introduce electronic states in the energy-gap region, with strong impact on the optical properties of the material. The calculation results indicate that spin polarization is obtained when substitutional impurities or vacancy defects are introduced in the structure |
URI : | http://www.repositorio.ufba.br/ri/handle/ri/5839 |
Fecha de publicación : | 2009 |
Aparece en las colecciones: | Artigo Publicado em Periódico (FIS) |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
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__www.springerlink.com_c...jg4vk4387044561k_fulltext.pdf Restricted Access | 508,35 kB | Adobe PDF | Visualizar/Abrir Request a copy |
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