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CARBON NANOTUBES

Electrical Contact Resistance at the Carbon Nanotube/Pd and Carbon Nanotube/Al Interfaces in End-Contact by First-Principles Calculations

[+] Author and Article Information
Feng Gao

Department of Civil and Environmental Engineering,  McCormick School of Engineering and Applied Science, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208feng-gao@northwestern.edu

Jianmin Qu

Department of Civil and Environmental Engineering, McCormick School of Engineering and Applied Science,  Northwestern University, 2145 Sheridan Road, Evanston, IL 60208; Department of Mechanical Engineering, McCormick School of Engineering and Applied Science,  Northwestern University, 2145 Sheridan Road, Evanston, IL 60208j-qu@northwestern.edu

Matthew Yao

Rockwell Collins Inc, 400 Collins Rd NE, Cedar Rapids, IA 52498myao@rockwellcollins.com

J. Electron. Packag 133(2), 020908 (Jul 01, 2011) (4 pages) doi:10.1115/1.4004095 History: Received January 17, 2010; Revised April 02, 2011; Published July 01, 2011; Online July 01, 2011

Reported in this paper is a quantum mechanics study on the electronic structure and contact resistance at the interfaces formed when an open-end single-walled carbon nanotube (CNT) is in end-contact with aluminum (Al) and palladium (Pd), respectively. The electronic structures are computed using a density functional theory (DFT), and the transmission coefficient is calculated using a nonequilibrium Green’s function (NEGF) in conjunction with the DFT. The current–voltage relation of the simulating cell is obtained by using the Landauer–Buttiker formula, from which the contact resistance can be determined. Our results show that the electronic structure and electron transport behavior are strongly dependent on the electrode. It is found that the CNT/Pd interface has a weaker bond than the CNT/Al interface. However, the CNT/Pd interface shows a lower electrical contact resistance.

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Copyright © 2011 by American Society of Mechanical Engineers
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Figures

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Figure 1

Simulation cell of the two-probe system, CNT in end-contact with electrodes

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Figure 2

Computed Mulliken Overlap population of electrode/CNT/electrode two-probe systems. Only the scattering region was presented herein. The green spheres represent the electrode atoms (Al or Pd), and blue spheres represent the C atoms in CNT: (a) Al/CNT/Al; (b) Pd/CNT/Pd.

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Figure 3

Local density of states (LDOS) of CNT/metal end-contact systems: (a) Al/CNT/Al system; (b) Pd/CNT/Pd system

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Figure 4

Transmission contours at Fermi energy for Al/CNT/Al and Pd/CNT/Pd systems at different applied bias voltages: (a) Al/CNT/Al: 0.1 V; (b) Al/CNT/Al: 2 V; (c) Pd/CNT/Pd: 0.1 V; (d) Pd/CNT/Pd: 2 V

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Figure 5

Transmission spectrum of Al/CNT/Al and Pd/CNT/Pd systems at different prescribed bias voltages

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Figure 6

Current–voltage (IV) curve of Al/CNT/Al and Pd/CNT/Pd systems

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