Theoretical Investigation of the Electronic Properties in BN Nanowires

Abstract:

Theoretical investigation of BN nanowires have been performed by density functional theory (DFT). The energy gap and electronic properties of BN nanowires (BNNWs) in the direction of growth [001] and [111] have been calculated. The calculations show that both nanowires exhibit a wide band gap at center of Brillouin zone, and the calculated band gaps are 1.90eV and 2.40eV, respectively. Noticeably, in the absence of any bias voltage, the transmission spectrum exhibit a region of zero transmission and a step-like behavior.

• Periodical: Key Engineering Materials (Volumes 645-646)
• Pages: 990-994
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.645-646.990
• Online since: May 2015
• Authors: Cui Cui Zhuang, Ling Li*, Si Di Fan, Chun Cheng Ban, Xiao Wei Liu
• Keywords: BN Nanowires, Electronic Properties, First Principles

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