Title :
Electronics Properties of Single-Walled Twisted Carbon Nanotubes
Author :
Fu Qing-fang ; Hao Da-peng ; Yan Xiao-mi ; He Dao-wei ; Chen Zhi-shun ; Wang Li-guang ; Terence, K.S.W.
Author_Institution :
Sch. of Sci., Jiangnan Univ., Wuxi, China
Abstract :
Electronic properties are calculated and simulited by using density functional theory based on the nonequilibrium Green´s function when a zigzag single-wall carbon nanotube (SCNTs) is twisted. We found that the twist of the single-wall carbon nanotube decreases their transmission function in certain energy ranges but some peaks are higher than unit despite twisting strongly affects the electronic structure of SCNT. The transmission peaks reduces gradually with twisting angle increasing. In addition, SCNT develops a Fermi-level which initially scales linearly with twisting angle and then reaches a constant value, the energy band gaps decrease with the twisting angles. All results indicate that SCNTs have lower electronic transport performance when the twisting angle increases, especially for large twisting angles.
Keywords :
Fermi level; Green´s function methods; carbon nanotubes; density functional theory; energy gap; Fermi-level; density functional theory; electronic transport performance; electronics properties; energy band gaps; nonequilibrium Green function; single-walled twisted carbon nanotubes; transmission peaks; twisting angle; Carbon; Carbon nanotubes; Computational modeling; Density functional theory; Electrodes; Green´s function methods; Photonic band gap; density functional theory; electric structure; electronic transmission; nonequilibrium Green´s function; single-wall twisted carbon nanotubes;
Conference_Titel :
Information and Computing (ICIC), 2011 Fourth International Conference on
Conference_Location :
Phuket Island
Print_ISBN :
978-1-61284-688-0
DOI :
10.1109/ICIC.2011.59