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Calculation of curvature effects and hybridization in zigzag carbon nanotubes
Author(s) -
László I.,
Zsoldos I.
Publication year - 2009
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200982315
Subject(s) - zigzag , tight binding , curvature , carbon nanotube , valence (chemistry) , negative curvature , materials science , nanotechnology , condensed matter physics , electronic structure , physics , geometry , mathematics , quantum mechanics
We have studied the hybridization and curvature effects of zigzag nanotubes in the framework of π ‐tight‐binding ( π TB) approximation. Three parameters were used for the first neighbor interactions. By adjusting the hoping parameters to the results calculated in all‐valence tight‐binding (AVTB) method we could obtain metallic electronic structure for the (5,0) nanotube.