Sahu, R.K.; Mukherjee, V.; Dash, T.; Padhan, S.K.; Nayak, B.B.
(Physica B-Condensed Matter, 615, 2021: 413074)
We have performed optimization of (5,0) zigzag and (5,5) armchair single-walled carbon nanotube and SiC nanotube using density functional theory at zero spin and high spin values. Further, Infrared and Raman spectra, highest ...