449 citations
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Showing 2012 · cond-mat.mes-hallShow all
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cond-mat.mes-hall2012★ 11 cited
Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60-junction
Søren Ulstrup, Thomas Frederiksen, Mads Brandbyge
We investigate chemical bond formation and conductance in a molecular C60-junction under finite bias voltage using first-principles calculations based on density functional theory…
cond-mat.mes-hall2012★ 122 cited
Current-induced atomic dynamics, instabilities, and Raman signals: Quasi-classical Langevin equation approach
Jing Tao Lü, Mads Brandbyge, Per Hedegård +2
We derive and employ a semi-classical Langevin equation obtained from path-integrals to describe the ionic dynamics of a molecular junction in the presence of electrical current. T…