Calculated IR spectra for six zigzag SWNTs.
Frequencies of IR-active modes as a function of for various zigzag SWNTs.
Sketch of the atomic displacements in the three IR-active modes of the (10,0) SWNT: from left to right: , , and . The corresponding frequencies and induced dipole moments are also given. Here, the red and green balls represent the two kinds of inequivalent carbon atoms of the SWNTs in a unit cell.
Calculated IR spectrum of chiral (4,2) SWNT.
Optimized structural parameters and the RBM frequencies of calculated SWNTs. is the lattice constant along the tube axis, is the average diameter, and is the RBM frequency. The values in the brackets are the reference data from Ref. 42 .
The calculated frequencies of IR-active modes for zigzag SWNTs.
The calculated frequencies of IR-active modes for chiral (4,2) SWNT.
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