From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study

Andreas Mavrantonakis, George E. Froudakis, M. Schnell, Max Muhlhǎuser

Research output: Contribution to journalArticlepeer-review

185 Scopus citations

Abstract

Ab initio methods are used for investigating structural and electronic properties of silicon-carbon nanotubes (SiCNTs). Tubes with different Si to C ratios were tested and the trend from C-rich to Si-rich SiCNTs is examined. Our results show that SiCNTs lose stability when the ratio of Si over C increases. Nevertheless they remain stable until the ratio reaches 50:50, and after that the Si-rich tubes collapse to nanowires or clusters with solid interiors. The electronic density of states of different SiCNTs is also presented and analyzed.

Original languageEnglish (US)
Pages (from-to)1481-1484
Number of pages4
JournalNano letters
Volume3
Issue number11
DOIs
StatePublished - Nov 1 2003

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