One of the main technological issues to be solved in graphene technology is the realization of graphene/metal contacts with very low contact resistance. Unfortunately, the values reported in literature are not completely consistent and the mechanisms at play at the interfaces are not fully understood. The principal aim of our work is to understand the nature of the mechanisms involved in the metal-graphene interface, through an in-depth multiscale theoretical study at the fundamental level, exploiting ab-initio simulations. We have considered two different categories of metals, based on the binding energy and the metal-graphene distance, i.e., physisorbed and chemisorbed metals. We have performed electronic calculations and detailed analysis of the electrostatic potential at the interface region of the system and computed transport through the interface, so to accurately calculate the contact resistance. Our approach is able to explain experimental results available in the literature, and it can be used in order to engineer contact resistance (i.e., giving hints so to obtain optimized interfaces), and to eventually obtain high performance devices based on graphene.

Theoretical study of metal-graphene contact resistance

Cusati, Teresa;FIORI, GIANLUCA;IANNACCONE, GIUSEPPE
2016-01-01

Abstract

One of the main technological issues to be solved in graphene technology is the realization of graphene/metal contacts with very low contact resistance. Unfortunately, the values reported in literature are not completely consistent and the mechanisms at play at the interfaces are not fully understood. The principal aim of our work is to understand the nature of the mechanisms involved in the metal-graphene interface, through an in-depth multiscale theoretical study at the fundamental level, exploiting ab-initio simulations. We have considered two different categories of metals, based on the binding energy and the metal-graphene distance, i.e., physisorbed and chemisorbed metals. We have performed electronic calculations and detailed analysis of the electrostatic potential at the interface region of the system and computed transport through the interface, so to accurately calculate the contact resistance. Our approach is able to explain experimental results available in the literature, and it can be used in order to engineer contact resistance (i.e., giving hints so to obtain optimized interfaces), and to eventually obtain high performance devices based on graphene.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/797709
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