Session X26: Focus Session: Charge Transport in Nanostructures IV
8:00 AM–10:36 AM, Friday, March 9, 2007
Colorado Convention Center Room: 205
Sponsoring Unit:
DCP
Chair: Paul McEuen, Cornell University
Abstract ID: BAPS.2007.MAR.X26.6
Abstract: X26.00006 : Classical Nuclear Motion in Quantum Transport
9:24 AM–9:36 AM
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Abstract 
Authors:
Claudio Verdozzi
(Department of Physics, Lund University, Lund, Sweden)
Gianluca Stefanucci
(Department of Physics, Lund University, Lund, Sweden)
Carl-Olof Almbladh
(Department of Physics, Lund University, Lund, Sweden)
A quantum-classical scheme is presented to study nuclear motion in time-dependent quantum transport. The nuclei are treated in the Ehrenfest approximation. We illustrate the method in terms of model systems results. We show how electron-lattice interactions may induce dynamical Peierls distortions in short wires, and change their conducting behavior. We also show time-resolved results for current-induced molecular desorption and suggest that AC biases could provide a way to tailor electromigration. The results illustrate the importance of non-adiabatic effects for transient phenomena in nanodevices.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.MAR.X26.6