Chirality (n, m) Dependence of Band Gap of Semiconducting SWCNT

摘要: Experimental band gap energies of 208 semiconducting single-wall carbon nanotubes (n, m) from 0.4 nm to 3 are analyzed by dividing them in mod (n-m, 3) =1 and 2 types. Eects nanotube curvature chirality on their closely investigated. An exponential empirical relation SWCNTs with its diameter chiral index is devised for both 1 type SWCNTs. The proposed enables the simplest tight binding model predict all higher accuracy. Calculated values match experimental data less than 1% average absolute error over full range. greatly improves simple removes quantitative qualitative failure predicting