960化工网
A theoretical model for metal–graphene contact resistance using a DFT–NEGF method
Xiang Ji,Jinyu Zhang,Yan Wang,He Qian,Zhiping Yu
Physical Chemistry Chemical Physics Pub Date : 08/30/2013 00:00:00 , DOI:10.1039/C3CP52589A
Abstract

The contact resistance (Rc) between graphene and metal electrodes is of crucial importance for achieving potentially high performances for graphene devices. However, previous analytical models based on Landauer's approach have failed to include the Fermi velocity difference between the graphene under the metal and the pure graphene channel. Hereby we report a theoretical model to estimate the Rc using density-functional theory and non-equilibrium Green's function methods. Our model not only presents a clear physical picture of the metal–graphene contacts, but also generates Rc values which are in good agreement with the experimental results: 210 Ω μm for double-sided Pd contacts compared with 403 Ω μm for single-sided Pd contact.

Graphical abstract: A theoretical model for metal–graphene contact resistance using a DFT–NEGF method
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