Metallic carbon nanotubes with metal contacts: electronic structure and transport

• Published in: Nanotechnology Vol. 25; no. 42; p. 425203
• Main Authors: Zienert, A, Schuster, J, Gessner, T
• Format: Journal Article
• Language: English
• Published: Bristol IOP Publishing 24.10.2014; Institute of Physics
• Subjects: Aluminum; carbon nanotube; Carbon nanotubes; Condensed matter: electronic structure, electrical, magnetic, and optical properties; contact; Cross-disciplinary physics: materials science; rheology; density functional theory; Electrodes; Electronic structure; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals; electronic transport; Electronic transport in multilayers, nanoscale materials and structures; Exact sciences and technology; extended Hückel theory; Gold; Greenʼs function; Materials science; Mathematical analysis; Nanocrystalline materials; Nanoscale materials and structures: fabrication and characterization; Nanotubes; Palladium; Physics; Silver; Density of states; Work functions; Transport properties; Electronic conductivity; Theoretical study; Carbon nanotubes; Palladium; Ballistic transport; Green function; Electronic structure; Binding energy; Size effect; Density functional method; Ohmic contacts; Nanostructured materials
• ISSN: 0957-4484; 1361-6528
• DOI: 10.1088/0957-4484/25/42/425203

We study quasi-ballistic electron transport in metallic carbon nanotubes (CNTs) of variable length in contact with Al, Cu, Pd, Pt, Ag, and Au electrodes by using the non-equilibrium Greenʼs function formalism in combination with either density functional theory or self-consistent extended Hückel theory. We find good agreement between both. Visualizing the local device density of states of the systems gives a descriptive link between electronic structure and transport properties. In comparison with bare finite and infinite tubes, we show that the electronic structure of short metallic CNTs is strongly modified by the presence of the metallic electrodes, which leads to pronounced size effects in the conductance. The mean conductances and linear response currents allow a ranking of the metals regarding their ability to form low-Ohmic contacts with the nanotube: . These findings are contrasted with similar trends in contact distance, binding energy, calculated work function of the metal surfaces, and various results from literature.