Nakamura, A.3; Brandbyge, Mads4; Hansen, Lars Bruno1; Jacobsen, Karsten Wedel1
1 Department of Physics, Technical University of Denmark2 Theoretical Atomic-scale Physics, Department of Physics, Technical University of Denmark3 Technical University of Denmark4 Center for Nanostructured Graphene, Center, Technical University of Denmark
We study the deformation and breaking of an atomic-sized sodium wire using density functional simulations. The wire deforms through sudden atomic rearrangements and smoother atomic displacements. The conductance of the wire exhibits plateaus at integer values in units of 2e(2)/h corresponding to a specific number of eigenchannels. The transitions between plateaus can be abrupt in connection with structural rearrangements or extend over a few a of elongation. The interplay between conductance modes and structural deformation is discussed by means of the eigenchannel transmission probabilities.
Physical Review Letters, 1999, Vol 82, Issue 7, p. 1538-1541