氮化硼
材料科学
碳纳米管
带隙
电子能带结构
凝聚态物理
六方氮化硼
纳米管
碳纳米管的光学性质
紧密结合
直接和间接带隙
单壁纳米管的选择化学
电子结构
纳米技术
石墨烯
物理
光电子学
作者
Ángel Rubio,Jennifer L. Corkill,Marvin L. Cohen
出处
期刊:Physical review
日期:1994-02-15
卷期号:49 (7): 5081-5084
被引量:1650
标识
DOI:10.1103/physrevb.49.5081
摘要
Based upon the similarities in properties between carbon- and BN-based (BN=boron nitride) materials, we propose that BN-based nanotubes can be stable and study their electronic structure. A simple Slater-Koster tight-binding scheme has been applied. All the BN nanotubes are found to be semiconducting materials. The band gaps are larger than 2 eV for most tubes. Depending on the helicity, the calculated band gap can be direct at \ensuremath{\Gamma} or indirect. In general, the larger the diameter of the nanotube the larger the band gap, with a saturation value corresponding to the calculated local-density-approximation band gap of hexagonal BN. The higher ionicity of BN is important in explaining the electronic differences between these tubes and similar carbon nanotubes.
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