TY - JOUR
T1 - Electrical contact resistance at the carbon nanotube/pd and carbon nanotube/AI interfaces in end-contact by first-principles calculations
AU - Gao, Feng
AU - Qu, Jianmin
AU - Yao, Matthew
PY - 2011/6
Y1 - 2011/6
N2 - 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.
AB - 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.
KW - Carbon nanotube
KW - Contact resistance
KW - Electronic structure
KW - First-principles
UR - http://www.scopus.com/inward/record.url?scp=84880107292&partnerID=8YFLogxK
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U2 - 10.1115/1.4004095
DO - 10.1115/1.4004095
M3 - Article
AN - SCOPUS:84880107292
SN - 1043-7398
VL - 133
SP - 20908-1-20908-4
JO - Journal of Electronic Packaging, Transactions of the ASME
JF - Journal of Electronic Packaging, Transactions of the ASME
IS - 2
ER -