Mechanically changed band gap of single walled carbon nanotube: a third neighbor tight-binding approach

Analytical derivation of electronic band gap of Single Walled Carbon Nanotube (SWCNT) under a small percent of uniaxial and torsional strains is in this paper. Our approach is based on a kind of π-Tight Binding (π-TB) approximation which includes interactions of the second and the third neighbors of each carbon atom in addition to the nearest ones. Implementing the approach of this paper, yields more precise results than those of other researches.

[1]  Martin Hulman,et al.  Raman spectroscopy of small-diameter nanotubes , 2004 .

[2]  Riichiro Saito,et al.  Electronic structure of chiral graphene tubules , 1992 .

[3]  M. P. Anantram,et al.  Band-gap change of carbon nanotubes: Effect of small uniaxial and torsional strain , 1999 .

[4]  H. Michel,et al.  Spectral dynamics in the B800 band of LH2 from Rhodospirillum molischianum: a single-molecule study , 2004 .

[5]  R. Berndt,et al.  Scanning tunneling spectroscopy of Na on Cu(111) , 2001 .

[6]  J. Maultzsch,et al.  Tight-binding description of graphene , 2002 .

[7]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[8]  J. C. Slater,et al.  Simplified LCAO Method for the Periodic Potential Problem , 1954 .

[9]  White,et al.  Helical and rotational symmetries of nanoscale graphitic tubules. , 1993, Physical review. B, Condensed matter.

[10]  R. Saito,et al.  Magnetic energy bands of carbon nanotubes. , 1994, Physical review. B, Condensed matter.

[11]  J. Mintmire,et al.  Density-functional study of the mechanical and electronic properties of narrow carbon nanotubes under axial stress , 2005 .

[12]  W. Bu,et al.  Electronic structure in finite-length deformed metallic carbon nanotubes , 2004 .

[13]  Yang,et al.  Electronic structure of deformed carbon nanotubes , 2000, Physical review letters.

[14]  D. Pettifor,et al.  Bandgap modulation of narrow-gap carbon nanotubes in a transverse electric field , 2005, cond-mat/0510480.

[15]  A. Charlier,et al.  Uniaxial-stress effects on the electronic properties of carbon nanotubes , 1997 .

[16]  V. Popov Curvature effects on the structural, electronic and optical properties of isolated single-walled carbon nanotubes within a symmetry-adapted non-orthogonal tight-binding model , 2004 .