Regensburg 2016 – scientific programme

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DS: Fachverband Dünne Schichten

DS 41: Transport: Molecular Electronics and Photonics I
(Joint session of CPP, DS, HL, MA, O and TT, organized by TT)

DS 41.10: Talk

Thursday, March 10, 2016, 12:00–12:15, H23

Quantitative ab initio simulations of nanocarbon-metal extended contacts — •Artem Fediai^1,2, Dmitry Ryndyk^1,2, and Gianaurelio Cuniberti^1,2,3 — ¹Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden — ²Center for Advancing Electronics Dresden, TU Dresden — ³Dresden Center for Computational Materials Science, TU Dresden, 01062 Dresden, Germany

Recently developed approach presented in [1] allows to get quantitative information about the resistance R_c, effective contact length L_c, and contacts resistance scaling R_c(L_c) in different extended side contacts depending on the electrode material. We apply this approach to find a contact resistance of side CNT-metal contacts, transfer length in graphene-metal contacts and electronic properties of the diodes with CNT channel and asymmetric contacts (with the electrodes made of different metals). These kinds of ab initio simulations were previously impossible due to numerical intractability of the side contacts longer then several nanometers. Our approach explicitly uses extended contact model concept, enforced by modular approach. This allows us to overcome numerical problems and understand physical processes in extended contacts.

[1] A. Fediai, D.A. Ryndyk, G. Cuniberti, PRB 91, 165404 (2015)