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384. 


Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale ab initio study



A. Fediai, D. A. Ryndyk, G. Seifert, S. Mothes, M. Schröter, M. Claus, G. Cuniberti

Appl. Phys. Lett., 109, 103101 (2016)

Using a dedicated combination of the non-equilibrium Green function formalism and large-scale density functional theory calculations, we investigated how incomplete metal coverage influences two of the most important electrical properties of carbon nanotube (CNT)-based transistors: contact resistance and its scaling with contact length, and maximum current. These quantities have been derived from parameter-free simulations of atomic systems that are as close as possible to experimental geometries. Physical mechanisms that govern these dependences have been identified for various metals, representing different CNT-metal interaction strengths from chemisorption to physisorption. Our results pave the way for an application-oriented design of CNT-metal contacts.



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doi absolute link10.1063/1.4962439
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