A Dielectric Effect on Normal Mode Analysis and Symmetry of BNNT Nanotube

作者：Mollaamin F; Monajjemi M; Salemi S; Baei Mohammad T^*

来源：Fullerenes, Nanotubes, and Carbon Nanostructures, 2011, 19(3): 182-196.

DOI：10.1080/15363831003782932

• Nanotube (BNNT)
• normal mode
• symmetry
• vibration frequency

Besides thermodynamic information, vibration can identify modes of a molecule by comparison of the spectroscopy and parameterize force field. By the application of group theory with the state of projection operators, a systematic method for getting the vibration model of molecule the zigzag single-walled Boron nitride nanotube (BNNT) with (8, 0) structure was proposed. The combination and their normalization coefficients of (8, 0) nanotube in C-6V point group was calculated, and the effect of dielectric constants on the mechanism of these vibrations in nanotubes was studied. Normal mode analysis in chemistry was originally developed for describing the vibrational spectra of molecules, even though the interpretation is often in terms analysis is not very large. We found that in the high dielectric the frequency of vibration has alternative behavior, but by decreasing the dielectric this behavior changed to stable situation of geometry.

• 出版日期2011