Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

✍ Scribed by R. Majidi; K. Ghafoori Tabrizi; S. Jalili

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 452 KB
• Volume: 404
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2009.05.031

✦ Synopsis

Double-walled carbon and boron nitride hetero-nanotube Boron nitride doping Ab initio molecular dynamics method Electronic band structures a b s t r a c t

The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.