Electron-phonon coupling for the radial-breathing mode (RBM) of single-walled carbon nanotubes (SWNTs)

 

elphcoupling

Fig. 1. Electron-phonon coupling matrix elements of the groups Mod0, Mod1, Mod2 SWNTs versus tube radius, chiral angle and transition energy.

 

The resonant Raman scattering from solids is accompanied by creation of virtual electron-hole pairs, emission/absorption of a phonon, and annihilation of the virtual electron-hole pairs. Therefore, the electron-phonon coupling plays an important role in the scattering process. The matrix element of this coupling is determined by the scalar product of the derivative of the optical transition energies[1,2] with respect to the atomic displacement vector and the phonon eigenvector[3,4].

 

The electron-phonon coupling matrix elements for all optical transitions up to 3.5 eV for all 300 SWNTs with radii from 2 Ǻ to 12 Ǻ were calculated within a symmetry-adapted non-orthogonal tight-binding model[1,2]. The obtained matrix elements can be positive or negative. They decrease with the increase of the radius and chiral angle and increase with the increase of the transition energy[3,4] (Fig. 1). The points follow family patterns for L1+2L2=const and 2L1+L2=const.

 

References:                             

1. V. N. Popov, New J. Phys. 6 (2004) 1-17.

2. V. N. Popov and L. Henrard, Phys. Rev. B 70 (2004) 115407.

3. V. N. Popov, L. Henrard, and Ph. Lambin, Nano Letters 4 (2004) 1795-1799.

4. V. N. Popov, L. Henrard, and Ph. Lambin, Phys. Rev. B 72 (2005) 035436.

 

 

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Valentin Popov

July 22, 2005