| Autor: |
Qing Gong Song, Ai Qing Wu, Li Yang |
| Rok vydání: |
2012 |
| Předmět: |
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| Zdroj: |
Advanced Materials Research. 510:747-752 |
| ISSN: |
1662-8985 |
| DOI: |
10.4028/www.scientific.net/amr.510.747 |
| Popis: |
The stability and electronic structures of Al or/and P doped single-walled SiC nanotubes (SWSiCNTs) are investigated by the first-principles theory. It is found that the ones with P atom located at Si site are most energetically favorable both for armchair and zigzag SWSiCNTs, which means that P atom is prone to substitute Si atom. In the same time, we found that the formation energy of Al substituting Si atom is lower than that of Al substituting C atom. The energetic disadvantages of P or Al atom located at C site in SWSiCNTs may be due to the obviously structural distortion in view of that the Al and P atoms are much bigger than C atom. The SWSiCNTs can be routinely modified ranging fromp-type semiconductor ton-type by Al and P substitution doping. These results are expected to give valuable information in building nanoscale electronic devices. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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