Contact Resistance for "End-Contacted" Metal-Graphene and Metal-Nanotube Interfaces from Quantum Mechanics

被引：180

作者：

Matsuda, Yuki ^{[1
]}

Deng, Wei-Qiao ^{[1
]}

Goddard, William A., III ^{[1
]}

机构：

[1] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2010年 / 114卷 / 41期

基金：

美国国家科学基金会;

关键词：

CARBON NANOTUBE; CHROMATOGRAPHIC PURIFICATION; ELECTRONIC-STRUCTURE; TRANSPORT;

D O I：

10.1021/jp806437y

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper, we predict the current-voltage (I-V) characteristics and contact resistance of "end-contacted" metal electrode-graphene and metal electrode-carbon nanotube (CNT) interfaces for five metals, Ti, Pd, Pt, Cu, and Au, based on the first-principles quantum mechanical (QM) density functional and matrix Green's function methods. We find that the contact resistance (normalized to surface C atoms) is 107 k Omega for Ti, 142 k Omega for Pd, 149 k Omega for Pt, 253 k Omega for Cu, and 187 k Omega for Au. This can be compared with the contact resistance (per C) for "side-contacted" metal-graphene or metal-CNT interfaces of 8.6 M Omega for Pd, 34.7 M Omega for Pt, 630 M Omega for Cu, etc. Those are in good agreement with available experimental results, 40.5 M Omega for Pt, for example. Thus, compared to the values for side-contacted interfaces from QM, we find a decrease in contact resistance by factors ranging from 6751 for Au and 2488 for Cu, to 233 for Pt and 60 Pd, to 8.8 for Ti. This suggests a strong advantage for developing technology to achieve "end-contacted" configurations.

引用

页码：17845 / 17850

页数：6

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