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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