Classical nuclear motion in quantum transport

Claudio Verdozzi, Gianluca Stefanucci, Carl-Olof Almbladh

Research output: Contribution to journalArticlepeer-review

51 Citations (SciVal)

Abstract

An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results provide the first example of current-induced molecular desorption as obtained from a full time-dependent approach and suggest the use of ac biases as a way to tailor electromigration. They also show the importance of nonadiabatic effects for ultrafast phenomena in nanodevices.
Original languageEnglish
JournalPhysical Review Letters
Volume97
Issue number4
DOIs
Publication statusPublished - 2006

Subject classification (UKÄ)

  • Condensed Matter Physics

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