中国物理B ›› 2017, Vol. 26 ›› Issue (7): 73102-073102.doi: 10.1088/1674-1056/26/7/073102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Electronic transport properties of lead nanowires

Lishu Zhang(张力舒), Yi Zhou(周毅), Xinyue Dai(代新月), Zhenyang Zhao(赵珍阳), Hui Li(李辉)   

  1. Key Laboratory for Liquid & #8211;Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, China
  • 收稿日期:2017-02-24 修回日期:2017-04-20 出版日期:2017-07-05 发布日期:2017-07-05
  • 通讯作者: Hui Li E-mail:lihuilmy@hotmail.com
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No.51671114) and the Special Funding in the Project of the Taishan Scholar Construction Engineering and National Key Research Program of China (Grant No.2016YFB0300501).

Electronic transport properties of lead nanowires

Lishu Zhang(张力舒), Yi Zhou(周毅), Xinyue Dai(代新月), Zhenyang Zhao(赵珍阳), Hui Li(李辉)   

  1. Key Laboratory for Liquid & #8211;Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, China
  • Received:2017-02-24 Revised:2017-04-20 Online:2017-07-05 Published:2017-07-05
  • Contact: Hui Li E-mail:lihuilmy@hotmail.com
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No.51671114) and the Special Funding in the Project of the Taishan Scholar Construction Engineering and National Key Research Program of China (Grant No.2016YFB0300501).

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摘要： Lead nanowire occupies a very important position in an electronic device. In this study, a genetic algorithm (GA) method has been used to simulate the Pb nanowire. The result shows that Pb nanowires are a multishell cylinder. Each shell consists of atomic rows wound up helically side by side. The quantum electron transport properties of these structures are calculated based on the non-equilibrium Green function (NEGF) combined with the density functional theory (DFT), which indicate that electronic transport ability increases gradually with the atomic number increase. In addition, the thickest nanowire shows excellent electron transport performance. It possesses great transmission at the Fermi level due to the strongest delocalization of the electronic state. The results provide valuable information on the relationship between the transport properties of nanowires and their diameter.

关键词: lead nanowires, electronic transport, genetic algorithm, non-equilibrium Green function, density functional theory

Abstract: Lead nanowire occupies a very important position in an electronic device. In this study, a genetic algorithm (GA) method has been used to simulate the Pb nanowire. The result shows that Pb nanowires are a multishell cylinder. Each shell consists of atomic rows wound up helically side by side. The quantum electron transport properties of these structures are calculated based on the non-equilibrium Green function (NEGF) combined with the density functional theory (DFT), which indicate that electronic transport ability increases gradually with the atomic number increase. In addition, the thickest nanowire shows excellent electron transport performance. It possesses great transmission at the Fermi level due to the strongest delocalization of the electronic state. The results provide valuable information on the relationship between the transport properties of nanowires and their diameter.

Key words: lead nanowires, electronic transport, genetic algorithm, non-equilibrium Green function, density functional theory

中图分类号: 

  • 31.15.E-