Electrical contact resistance at the carbon nanotube/pd and carbon nanotube/AI interfaces in end-contact by first-principles calculations

Feng Gao, Jianmin Qu, Matthew Yao

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

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 thanthe CNT/Al interface. However, the CNT/Pd interface shows a lower electrical contact resistance.

Original languageEnglish
Pages (from-to)20908-1-20908-4
JournalJournal of Electronic Packaging, Transactions of the ASME
Volume133
Issue number2
DOIs
StatePublished - Jun 2011

Keywords

  • Carbon nanotube
  • Contact resistance
  • Electronic structure
  • First-principles

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