...
首页> 外文期刊>RSC Advances >Tuning the electron transport properties of boron-nitride nanoribbons with electron and hole doping
【24h】

Tuning the electron transport properties of boron-nitride nanoribbons with electron and hole doping

机译:用电子和空穴掺杂调节氮化硼纳米带的电子传输性能

获取原文
获取原文并翻译 | 示例
   

获取外文期刊封面封底 >>

       

摘要

By first principles calculations based on the density functional theory and nonequilibrium Green's function technique, we have studied the electronic and transport properties of C-doped zigzag-edged boron-nitride nanoribbons (ZBNNRs). Due to the two sub-lattices in boron-nitride nanoribbons (BNNRs), C substitutions at B sites and N sites naturally provide ways for electron doping and hole doping. Different combinations of the C chain substitution schemes are utilized to tune the electron transport of nano junctions constructed with ZBNNRs. It is found that, either substitution for B or N by C, in symmetric doping, the junction always behaves as a good conductor. However, in the asymmetric doping, the performance of the junctions highly depends on the positions of the C chain. When the C atoms are doped at opposite edges on the two sides of the junction, there is no current across the junction although dopings at B site and N site can both transform a BNNR from an insulator into a metal. Interestingly, when the doping sites are moved to the middle of the ribbons, the junctions conduct very well and negative differential resistance (NDR) is observed due to the special alignment of the energy bands of the two leads.
机译:通过基于密度泛函理论和非平衡格林函数技术的第一性原理计算,我们研究了掺碳的之字形边缘氮化硼纳米带(ZBNNRs)的电子和输运性质。由于氮化硼纳米带(BNNRs)中的两个亚晶格,B位置和N位置的C取代自然为电子掺杂和空穴掺杂提供了方法。 C链取代方案的不同组合可用于调节由ZBNNR构成的纳米结的电子传输。发现,在对称掺杂中,用C代替B或N时,结始终表现出良好的导体性能。然而,在非对称掺杂中,结的性能高度依赖于C链的位置。当C原子在结的两侧的相对边缘处掺杂时,尽管B位置和N位置的掺杂都可以将BNNR从绝缘体转变为金属,但没有电流通过结。有趣的是,当掺杂位点移至带的中间时,结点导电性很好,并且由于两条引线的能带特殊对齐,观察到负差分电阻(NDR)。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号