Electronic properties of BN/C nanotube heterostructures

Yingcai Fan, Mingwen Zhao, Tao He, Zhenhai Wang, Xuejuan Zhang, Zexiao Xi, Hongyu Zhang, Keyu Hou, Xiangdong Liu, Yueyuan Xia

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

We perform first-principles calculations to investigate the geometric and electronic properties of (10,0) and (5,5) BN/C nanotube heterostructures. We show that both of them have smooth interfaces which are free from bond mismatch and vacancy defect. Interface states appear in the band gaps, due to the discontinuity of π -π bonding of carbon nanotube segments, and exhibit asymmetric distribution in the two segments. The charge redistribution in the region near the interfaces gives rise to a build-in electric field and modulates the static electric potential profiles in the heterostructures. The band scheme diagrams of these heterostructures are also presented.

Original languageEnglish
Article number094304
JournalJournal of Applied Physics
Volume107
Issue number9
DOIs
Publication statusPublished - 1 May 2010
Externally publishedYes

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