IUVSTA 15th International Vacuum Congress (IVC-15), AVS 48th International Symposium (AVS-48), 11th International Conference on Solid Surfaces (ICSS-11)
    Electronics Thursday Sessions
       Session EL-ThM

Paper EL-ThM6
First-principles Study of Conduction Channels of Atomic Wires

Thursday, November 1, 2001, 10:00 am, Room 124

Session: Quantum Electronics
Presenter: M. Tsukada, University of Tokyo, Japan
Authors: N. Kobayashi, National Institute of Advanced Industrial Science and Technology (AIST), Japan
M. Aono, Osaka University, Japan
M. Tsukada, University of Tokyo, Japan
Correspondent: Click to Email
Electron transport through nanoscale structures has been investigated from the viewpoint of nanoscale physics and technology. A number of studies have been performed for the transport of atomic wires and molecular bridges. One of the theoretical approaches to the transport is analysis of individual conduction channels. We report an analysis of the conduction channels of atom wires using the density functional theory with nonlocal pseudopotentials. Electronic states are calculated using the Green function technique, and are decomposed into individual channel components using the eigenchannel decomposition. We elucidate the channel transmission, the channel local density of states, and the channel current density, and clarify the characteristics of the channel for material kind. Furthermore, we show how the channels open or close for finite bias voltage, and discuss the I-V characteristics.