This article is cited in 2 papers

CONDENSED MATTER

Electronic structure of SiC/BN composite segmented nanotubes

A. S. Romanov^abc, A. A. Lisenko^abc, P. M. Silenko^abc, P. N. D'yachkov<sup>abc

a</sup> Moscow Power Engineering Institute
^b Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
^c Frantsevich Institute of Materials Science Problems, National Academy of Sciences of Ukraine

Abstract: The electronic structure of segmented nanotubes composed of the alternating layers of (5,5) and (9,0) BN and SiC nanotubes in armchair and zigzag configurations, which differed in the orientation of the chemical bonds in the segments and the nature of the bonds (Si-N and B-C or Si-B and N-C) at the boundaries of BN and SiC regions, has been calculated using the linearized augmented cylindrical wave method. The calculations have been performed using the local density functional and the muffin-tin approximation for the electronic potential. It has been found that depending on the bonds at the segment boundaries, the (5,5) BN/SiC nanotubes are semiconductors with the energy gap E _g of 1 to 3 eV, whereas the (9,0) BN/SiC nanotubes exhibited a metal, semimetal, or semiconductor (E _g ~ 1 eV) type of band structures.

PACS: 71.20.-b

Received: 16.02.2009
Revised: 27.04.2009

 English version: Journal of Experimental and Theoretical Physics Letters, 2009, 89:11, 558–562

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