Coherent Relation between Structure and Conduction of Infinite Atomic Wires

Details Coherent Relation between Structure and Conduction of Infinite Atomic Wires Coherent Relation between Structure and Conduction of Infinite Atomic Wires

2002-12-21

arxiv.org/abs/cond-mat/0212545v1

Nanotechnology 14, 299 (2003)

Physics

Condensed Matter

10 pages and 6 figures. accepted to Nanotechnology

Scientific paper

10.1088/0957-4484/14/2/338

We demonstrate a theoretical analysis concerning the geometrical structures and electrical conduction of infinite monatomic gold and aluminum wires in the process of their elongation, based on first-principles molecular-dynamics simulations using the real-space finite-difference method. Our study predicts that the single-row gold wire ruptures up to form a dimer coupling structure when the average interatomic distance increases up to more than 3.0 A, and that the wire is conductive before breaking but changes to an insulator at the rupturing point. In the case of the alumi-num wire, it exhibits a magnetic ordering due to the spin polarization, and even when stretched up to the average interatomic distance of 3.5 A, a dimerization does not oc-cur and the wire keeps a metallic nature.

Affiliated with

Also associated with

No associations

Rating

Coherent Relation between Structure and Conduction of Infinite Atomic Wires does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Coherent Relation between Structure and Conduction of Infinite Atomic Wires, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Coherent Relation between Structure and Conduction of Infinite Atomic Wires will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-674720