372 citations · 2k across the 26 of their papers we have counts for
11 papers · 1 filter
Transmission eigenchannels for coherent phonon transport
J. C. Klöckner, J. C. Cuevas, F. Pauly
We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illust…
Length dependence of the thermal conductance of alkane-based single-molecule junctions: An ab-initio study
J. C. Klöckner, M. Bürkle, J. C. Cuevas +1
Motivated by recent experiments, we present here a systematic ab-initio study of the length dependence of the thermal conductance of single-molecule junctions. We make use of a com…
Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ
Raúl García, M. Ángeles Herranz, Edmund Leary +9
We describe the synthesis and single molecule electrical transport properties of a molecular wire containing a -extended tetrathiafulvalene (exTTF) group and its charge-transfer…
Theoretical study of the charge transport through C60-based single-molecule junctions
S. Bilan, L. A. Zotti, F. Pauly +1
We present a theoretical study of the conductance and thermopower of single-molecule junctions based on C60 and C60-terminated molecules. We first analyze the transport properties…
Understanding the Electronic Transport Through Single Noble Gas Atoms
L. A. Zotti, M. Bürkle, Y. J. Dappe +2
We present a theoretical study of the conductance of atomic junctions comprising single noble gas atoms (He, Ne, Ar, Kr, and Xe) coupled to gold electrodes. The aim is to elucidate…
Modeling elastic and photoassisted transport in organic molecular wires: length dependence and current-voltage characteristics
J. K. Viljas, F. Pauly, J. C. Cuevas
Using a pi-orbital tight-binding model, we study the elastic and photoassisted transport properties of metal-molecule-metal junctions based on oligophenylenes of varying lengths. T…
Photoconductance of organic single-molecule contacts
J. K. Viljas, F. Pauly, J. C. Cuevas
We study the dc conductance of organic single-molecule contacts in the presence of external electromagnetic radiation (photoconductance). In agreement with previous predictions, we…
Role of electronic structure in photoassisted transport through atomic-sized contacts
J. K. Viljas, J. C. Cuevas
We study theoretically quantum transport through laser-irradiated metallic atomic-sized contacts. The radiation field is treated classically, assuming its effect to be the generati…
Dynamical Coulomb blockade of multiple Andreev reflections
A. Levy Yeyati, J. C. Cuevas, A. Martin-Rodero
We analyze the dynamical Coulomb blockade of multiple Andreev reflections (MAR) in a superconducting quantum point contact coupled to a macroscopic impedance. We find that at very…
Conduction Channels of One-Atom Zinc Contacts
M. Häfner, P. Konrad, F. Pauly +2
We have determined the transmission coefficients of atomic-sized Zn contacts using a new type of breakjunction which contains a whisker as a central bridge. We find that in the las…
Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels
J. Heurich, J. C. Cuevas, W. Wenzel +1
We present an atomistic theory of electronic transport through single organic molecules that reproduces the important features of the current-voltage characteristics observed in re…