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Electronic structures of BC3 nanoribbons
Ding, Yi ; Wang, Yanli ; Ni, Jun
2010-10-12 ; 2010-10-12
关键词ab initio calculations band structure boron compounds density functional theory nanostructured materials semiconductor materials TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET SEMICONDUCTORS Physics, Applied
中文摘要Using first principles calculations, we investigate the electronic structures of BC3 nanoribbons. We find that BC3 nanoribbons show a rich variety of electronic properties. The BC3 nanoribbons with the armchair shaped edges are all semiconductors, while BC3 nanoribbons with the zigzag shaped edges are semiconductors or metals depending on the edge atoms. The metallicity of BC3 nanoribbons with the zigzag shaped edges is attributed to the pi bonds formation between boron and carbon atoms and the lack of the carbon hexagons in the edge zigzag line.
语种英语 ; 英语
出版者AMER INST PHYSICS ; MELVILLE ; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
内容类型期刊论文
源URL[http://hdl.handle.net/123456789/81467]  
专题清华大学
推荐引用方式
GB/T 7714
Ding, Yi,Wang, Yanli,Ni, Jun. Electronic structures of BC3 nanoribbons[J],2010, 2010.
APA Ding, Yi,Wang, Yanli,&Ni, Jun.(2010).Electronic structures of BC3 nanoribbons..
MLA Ding, Yi,et al."Electronic structures of BC3 nanoribbons".(2010).
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