This work is partly supported by the MOST of China(Grant No.2001CB610503);the National Natural Science Foundation of China(Grant Nos.60231010,50202001);the Natural Science Foundation of Beijing(Grant No.4042017);the Doctoral Foundation of the Ministry of Education of China(Grant No.20020001003).
By using density-functional-theory based DMol3 code, the structure optimizations are performed on a short charged single-walled carbon nanotube. Results show that the total energy of the nanotube exhibits a parabolic ...