Eur. Phys. J. D 43, 147-150 (2007)
https://doi.org/10.1140/epjd/e2007-00089-5

Structure and electronic properties of a heterojunction between a single wall carbon nanotube and a TiC cluster

¹ Faculty of Engineering, Shizuoka University, Hamamatsu, 432-8561, Japan
² Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa, 920-1192, Japan

Corresponding author: ^a tsnfuji@ipc.shizuoka.ac.jp

Received: 24 July 2006
Revised: 29 September 2006
Published online: 24 May 2007

Abstract

Atomic structures and electronic properties of heterojunctions of Ti-TiC and TiC-single wall carbon nanotube, Ti₄₈-Ti₁₉C₂₆ and Ti₁₉C₂₄-C₃₀, are studied by the first principles calculation based on the density functional theory. At the junctions, these substrates are smoothly connected with each other and keep their original structures and electronic properties. The structures of the junctions obtained in the present work give a realistic model to ab initio study for electronic transport properties through the junction of a carbon nanotube and an electrode.