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Title: Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites

Abstract

The First-principles calculation is used to investigate the transport properties of a carbon chain connected with N-and/or B-doped caped carbon nanotube acting as electrodes. The I-V curves of the carbon chain are affected by the N/B doping sites, and rectifying behavior can be obtained distinctly when the carbon chain is just connected onto two doping atom sites (N- chain-B), and a weak rectification occurs when N (B) doping at other sites. Interestingly, the spin-filtering effects exist in the junction when it is doped at other sites, undoped system, or N-terminal carbon chains. However, no this behavior is found in N-chain-B and B-chain-B systems. The analysis on the transmission spectra, PDOS, LDOS, spin density, and the electron transmission pathways give an insight into the observed results for the system.

Authors:
 [1];  [2];  [3];  [4]
  1. Big Data and Information Engineering College of Guizhou University, Guiyang 550025 (China)
  2. (China)
  3. School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China)
  4. Guizhou University of Finance and Economics, Guiyang 550025 (China)
Publication Date:
OSTI Identifier:
22611472
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 6; Journal Issue: 7; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; ATOMS; BORON ADDITIONS; CARBON NANOTUBES; CHAINS; COMPUTERIZED SIMULATION; CONNECTORS; DENSITY; DOPED MATERIALS; ELECTRIC CONTACTS; ELECTRODES; ELECTRONS; NITROGEN ADDITIONS; PALLADIUM OXIDES; SPECTRA; SPIN; TRANSMISSION

Citation Formats

Liu, Wenjiang, Guizhou University of Finance and Economics, Guiyang 550025, Deng, Xiaoqing, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn, and Cai, Shaohong, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn. Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites. United States: N. p., 2016. Web. doi:10.1063/1.4958634.
Liu, Wenjiang, Guizhou University of Finance and Economics, Guiyang 550025, Deng, Xiaoqing, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn, & Cai, Shaohong, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn. Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites. United States. doi:10.1063/1.4958634.
Liu, Wenjiang, Guizhou University of Finance and Economics, Guiyang 550025, Deng, Xiaoqing, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn, and Cai, Shaohong, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn. Fri . "Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites". United States. doi:10.1063/1.4958634.
@article{osti_22611472,
title = {Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites},
author = {Liu, Wenjiang and Guizhou University of Finance and Economics, Guiyang 550025 and Deng, Xiaoqing, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn and Cai, Shaohong, E-mail: xq-deng@163.com, E-mail: caish@mail.gufe.edu.cn},
abstractNote = {The First-principles calculation is used to investigate the transport properties of a carbon chain connected with N-and/or B-doped caped carbon nanotube acting as electrodes. The I-V curves of the carbon chain are affected by the N/B doping sites, and rectifying behavior can be obtained distinctly when the carbon chain is just connected onto two doping atom sites (N- chain-B), and a weak rectification occurs when N (B) doping at other sites. Interestingly, the spin-filtering effects exist in the junction when it is doped at other sites, undoped system, or N-terminal carbon chains. However, no this behavior is found in N-chain-B and B-chain-B systems. The analysis on the transmission spectra, PDOS, LDOS, spin density, and the electron transmission pathways give an insight into the observed results for the system.},
doi = {10.1063/1.4958634},
journal = {AIP Advances},
number = 7,
volume = 6,
place = {United States},
year = {Fri Jul 15 00:00:00 EDT 2016},
month = {Fri Jul 15 00:00:00 EDT 2016}
}