Abstract:This theoretical study focuses on junctions between the carbon nanotubes (CNTs) and contacting metallic elements of a nanocircuit. Numerical simulations on the conductance and resistance of these contacts have been performed using the multiple scattering theory and the effective media cluster approach. Two models for CNT-metal contacts have been considered in this paper: a) first principles "liquid metal" model and b) semi-empirical model of "effective bonds" based on Landauer notions on ballistic conductivity. Within the latter, which is a more adequate description of chirality effects, we have simulated both single-wall (SW) and multi-wall (MW) CNTs with different morphology. Results of calculations on resistance for different CNT-Me contacts look quantitatively realistic (from several to hundreds kOhm, depending on chirality, diameter and thickness of MW CNT). The inter-wall transparency coefficient for MW CNT has been also simulated, as an indicator of possible 'radial current' losses.
Cluster approach based on the multiple scattering theory formalism, realistic analytical and coherent potentials, as well as effective medium approximation (EMA-CPA), can be effectively used for nano-sized systems modeling. Major attention is paid now to applications of carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) with various morphology which possess unique physical properties in nanoelectronics, e.g., contacts of CNTs or (GNRs) with other conducting elements of a nanocircuit, which can be promising candidates for interconnects in high-speed electronics. The main problems solving for resistance C-Me junctions with metal particles appear due to the influence of chirality effects in the interconnects of single-wall (SW) and multi-wall (MW) CNTs, single-layer (SL) and multi-layer (ML) GNRs with the fitting metals (Me ¼ Ni, Cu, Ag, Pd, Pt, Au) for the predefined carbon system geometry. Using the models of 'liquid metal' and 'effective bonds' developed in the framework of the presented approach and Landauer theory, we can predict resistivity properties for the considered interconnects. We have also developed the model of the inter-wall interaction inside MW CNTs, which demonstrates possible 'radial current' losses. CNT-and GNR-Metal interconnects in FET-type nanodevices provide nanosensoring possibilities for local physical (mechanical), chemical and biochemical influences of external medium. At the same time, due to high
The cluster approach based on the multiple scattering theory formalism, realistic analytical and coherent potentials, as well as effective medium approximation (EMA-CPA), can be effectively used for modeling of nanosized systems. This allows us to calculate the dispersion law E(k), electronic density of states, conductivity, etc. The multiple scattering problems are stated for radial (e.g., quantum dots) and axial (e.g., nanowires, nanotubes) symmetry approaches. Basic attention is paid now for applications on carbon nanotubes (CNTs) of varying morphology, including their contacts with other conducting elements of a nanocircuit, which can be applied for interconnects in a high-speed electronics. The main problems solving for the resistance in CNT junctions with metal particles appear due to the influence of chirality effects in interconnects of single-wall (SW) and multi-wall (MW) CNTs with the fitting metals (Me = Ni, Cu, Ag, Pd, Pt, Au) for a predefined CNT geometry. Using the model of 'effective bonds' as developed in this study within the formalism of Landauer theory, we can predict the resistivity properties for both SW and MW CNT-Me interconnects. We have also developed the model of the inter-wall interaction inside the MW CNTs, which demonstrates possible 'radial current' losses.
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As carbon nanotubes (CNT) and graphene nanostructures (GNR) constitute the basis of high-speed nanoelectronics and nanosensors, we examine the fundamental properties of various CNT-metal (Me), GNR-Me, and CNT-graphene interconnects. The cluster approach based on the multiple scattering theory as well as effective medium approximation were used to model the dispersion law, electronic density of states (DOS), and conductivity, etc. Multiple scattering problems were solved for nanostructures with radial (quantum dots) and axial (nanowires, nanotubes) symmetry. Interconnect capacitances and impedances have been evaluated in the GHz and THz regimes. Parametrical numerical simulations of conductivity were carried out for zig-zag ðm; 0Þ, armchair ðm; mÞ, and chiral ðm; nÞ CNTs, and the sensitivity of conductivity to the local electronic DOS in CNTs with local impurities (N and B atoms) was demonstrated. CNTs, CNT-Me, and GNR-Me based nanostructures are prospective nanosensor structures.
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