Vibrationally induced two-level systems in single-molecule junctions.

Experimental evidence for quantum interference and vibrationally induced decoherence in single-molecule junctions.

We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case where interference is provided by overlapping quasidegenerate states. Decoherence mechanisms arising from electronic-vibrational coupling strongly affect the...

Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions

Single-molecule electronics: Cooling individual vibrational modes by the tunneling current.

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, ...

Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions.

The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing identical particles, is applied to study the effect of vibrational motion on electron transport in a generic model for single-molecule junctions. The results demons...

Dissecting contact mechanics from quantum interference in single-molecule junctions of stilbene derivatives.

Electronic factors in molecules such as quantum interference and cross-conjugation can lead to dramatic modulation and suppression of conductance in single-molecule junctions. Probing such effects at the single-molecule level requires simultaneous measurements of independent junction properties, as conductance alone cannot provide conclusive evidence of junction formation for molecules with low...