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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >Electronic transport properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet from first principles
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Electronic transport properties of boron and nitrogen pair co-doped 6,6,12-graphyne nanosheet from first principles

机译：硼和氮气对的电子传输特性与第一个原则的共掺杂6,6,12-graphyne nanosheet

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摘要

The electronic transport properties of boron and nitrogen (B-N) pair co-doped 6,6,12-graphyne have been investigated comprehensively by means of the density functional theory combined with the non-equilibrium Green's function method. In previous studies, the 6,6,12-graphyne represents a small carrier effective mass and high carrier mobility, and its limit in electronic application caused by the closed band gap can be broken through by B-N pair co-doping. It is found that the B-N pair co-doped 6,6,12-graphyne exhibits anisotropic current. The current along the armchair direction is much stronger than that in the zigzag direction. Intriguingly, the current-voltage characteristics generically exhibit a negative differential resistance effect, regardless of the B-N pair doping conformations. In addition, a current rectification effect is observed in the two-probe device models based on the B-N pair co-doped 6,6,12-graphyne. Our results reveal that both the current and rectification effect are intimately connected with the transmission peaks appearing near the Fermi level. These findings suggest that the B-N pair co-doped 6,6,12-graphyne is a promising material for microelectronic device design.
机译：通过密度泛函理论全面研究了硼和氮气（B-N）对共掺杂6,6,12-晶锭的电子传输性能。在先前的研究中，6,6,12-Graphyne表示小载波有效质量和高载流子迁移率，并且其在由闭带间隙引起的电子应用中的限制可以通过B-N对共掺杂进行。发现B-N对共掺杂的6,6,12-石墨酰表现出各向异性电流。沿着扶手椅方向的电流比Z字形方向的电流要强。有趣的是，无论B-N对掺杂构象如何，电流 - 电压特性将仿制性差分电阻效应。此外，基于B-N对共掺杂6,6,12-graphyne的双探针装置模型中观察到电流整流效果。我们的研究结果表明，电流和整流效果都与在费米水平附近的传输峰密切相关。这些发现表明，B-N对共掺杂的6,6,12-Graphyne是微电子器件设计的有希望的材料。

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  • 作者

    Su Hui-Peng; Qin Xue-Fang; Shao Zhi-Gang;

  • 作者单位

    South China Normal Univ Guangdong Prov Key Lab Quantum Engn &

    Quantum Mat Natl Demonstrat Ctr Expt Phys Educ SPTE Guangdong Engn Technol Res Ctr Efficient Green En Guangzhou 510006 Guangdong Peoples R China;

    South China Normal Univ Guangdong Prov Key Lab Quantum Engn &

    Quantum Mat Natl Demonstrat Ctr Expt Phys Educ SPTE Guangdong Engn Technol Res Ctr Efficient Green En Guangzhou 510006 Guangdong Peoples R China;

    South China Normal Univ Guangdong Prov Key Lab Quantum Engn &

    Quantum Mat Natl Demonstrat Ctr Expt Phys Educ SPTE Guangdong Engn Technol Res Ctr Efficient Green En Guangzhou 510006 Guangdong Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理学;
  • 关键词

    B-N pairs; 6; 6; 12-graphyne; electron transport; rectification effect;

    机译：B-N对;6;6;12-石墨尼;电子传输;整流效果;

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