中国物理B ›› 2016, Vol. 25 ›› Issue (12): 128503-128503.doi: 10.1088/1674-1056/25/12/128503

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇    下一篇

Low-bias negative differential conductance controlled by electrode separation

Xiao-Hua Yi(衣晓华), Ran Liu(刘然), Jun-Jie Bi(毕俊杰), Yang Jiao(焦扬), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良)   

  1. School of Physics and Electronics, Shandong Normal University, Jinan 250014, China
  • 收稿日期:2016-07-27 修回日期:2016-09-01 出版日期:2016-12-05 发布日期:2016-12-05
  • 通讯作者: Zong-Liang Li E-mail:lizongliang@sdnu.edu.cn
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11374195 and 11405098) and the Natural Science Foundation of Shandong Province, China (Grant No. ZR2013FM006).

Low-bias negative differential conductance controlled by electrode separation

Xiao-Hua Yi(衣晓华), Ran Liu(刘然), Jun-Jie Bi(毕俊杰), Yang Jiao(焦扬), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良)   

  1. School of Physics and Electronics, Shandong Normal University, Jinan 250014, China
  • Received:2016-07-27 Revised:2016-09-01 Online:2016-12-05 Published:2016-12-05
  • Contact: Zong-Liang Li E-mail:lizongliang@sdnu.edu.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11374195 and 11405098) and the Natural Science Foundation of Shandong Province, China (Grant No. ZR2013FM006).

摘要:

The electronic transport properties of a single thiolated arylethynylene molecule with 9,10-dihydroanthracene core, denoted as TADHA, is studied by using non-equilibrium Green's function formalism combined with ab initio calculations. The numerical results show that the TADHA molecule exhibits excellent negative differential conductance (NDC) behavior at lower bias regime as probed experimentally. The NDC behavior of TADHA molecule originates from the Stark effect of the applied bias voltage, by which the highest occupied molecular orbital (HOMO) and the HOMO-1 are pulled apart and become localized. The NDC behavior of TADHA molecular system is tunable by changing the electrode distance. Shortening the electrode separation can enhance the NDC effect which is attributed to the possible increase of coupling between the two branches of TADHA molecule.

关键词: molecular junctions, negative differential conductance, electrode distance

Abstract:

The electronic transport properties of a single thiolated arylethynylene molecule with 9,10-dihydroanthracene core, denoted as TADHA, is studied by using non-equilibrium Green's function formalism combined with ab initio calculations. The numerical results show that the TADHA molecule exhibits excellent negative differential conductance (NDC) behavior at lower bias regime as probed experimentally. The NDC behavior of TADHA molecule originates from the Stark effect of the applied bias voltage, by which the highest occupied molecular orbital (HOMO) and the HOMO-1 are pulled apart and become localized. The NDC behavior of TADHA molecular system is tunable by changing the electrode distance. Shortening the electrode separation can enhance the NDC effect which is attributed to the possible increase of coupling between the two branches of TADHA molecule.

Key words: molecular junctions, negative differential conductance, electrode distance

中图分类号:  (Molecular electronic devices)

  • 85.65.+h
73.63.-b (Electronic transport in nanoscale materials and structures)