title: Carbon-atom wires: charge-transfer doping, voltage drop, and the effect of distortions
abstract: We present first-principles calculations on electrical conduction through carbon atomic wires. The changes in charge distribution induced by a large bias exhibit the primary involvement of the wire's pi states. A significant fraction ( approximately 40%) of the voltage drops across the atomic wire itself. At zero bias, there is a large transfer of charge from the electrodes to the wire, effectively providing doping without introducing scattering centers. This transfer leads, however, to potential barriers at the wire-electrode junctions. Bending the wire reduces its conductance.
authors.affiliation: IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598, USA.
authors.initials: ND
authors.lastname: Lang
authors.initials: P
authors.lastname: Avouris