Rabi Takassa

N07 – DFT investigation of optoelectronic properties of ultra-small C, CN and SiC nanotubes

Takassa R., Elfatouaki F., Farkad O., Hassine O., Choukri O., El Mouncharih A., Ijdiyaou Y., Ibnouelghazi E. A., Abouelaoualim D.

We investigated the optoelectronic properties of ultra-small armchair (3,3) carbon (C), carbon nitride (CN) and silicon cabride (SiC) nanotubes using the density functional theory (DFT). We performed the calculations for two potentials Perdew-Burke-Ernzerhof Generalized Gradient Approximation (PBEGGA) and Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The results show a semiconducting nature with direct and indirect gap for […]