Paper Title:
Alkali Metal and Alkaline Earth Encapsulated Silicene-Like Nanotubes
  Abstract

The structural stability and electronic properties of silicene-like nanotubes by metal atoms encapsulated were studied by first-principles. The calculations demonstrate that all the structures of nanotubes are stable, expect beryllium doped. Some nanotubes are semiconductor with small value of band gap while others are conductor, because the interaction and hybridizations decrease the band gap. Our electronic structure analysis shows that metal atoms gain electrons and Si atoms lose electrons as a whole, some electrons transferred from Si to metal atoms. We hope that our calculations will provide help to further experimental studies.

  Info
Periodical
Chapter
Chapter 1: Key Engineering Materials
Edited by
Jun Hu and Qi Luo
Pages
410-414
DOI
10.4028/www.scientific.net/AMR.320.410
Citation
C. H. Zhang, Q. Ran, J. Shen, "Alkali Metal and Alkaline Earth Encapsulated Silicene-Like Nanotubes", Advanced Materials Research, Vol. 320, pp. 410-414, 2011
Online since
August 2011
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Price
$32.00
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