Boron carbon nanotube superlattices: Geometry, electronic structure and quantum conductance

Xian-Lei Shenga , Qing-Rong Zheng a , Qing-Bo Yan b , Fei Xu a  ,Gang Su a , b ,∗
a College of Physical Sciences, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049, China
b College of Materials Science and Opto-Electronic Technology, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049, China

 

Abstract:

The stable boron carbon nanotube superlattices (BCNTSLs) that are constructed by periodically connecting carbon nanotube (CNT) and boron nanotube (BNT) with different lengths and diameters are predicted by employing the density functional first-principles calculations. The geometrical and electronic structures as well as quantum conductance of BCNTSLs are studied. It is found that the superlattices can be metallic or semiconducting depending on tube diameters and the ratio of BNT to CNT segments in a periodic unit. The confined states in the superlattice are observed. The present study could offer a useful way for designing some functional nanodevices.