Quantum interference through gated single-molecule junctions

We discuss the general form of the transmission spectrum through a molec- ular junction in terms of the Green function of the isolated molecule. By introducing a tight binding method, we are able to translate the Green func- tion properties into practical graphical rules for assessing beforehand the possible existence of antiresonances in an energy range for a given choice of connecting sites. The analysis is exemplified with a benzene molecule under a hypothetical local gate, which allows one to continuously tune the on-site energy of single atoms, for various connection topologies and gate positions.Comment: 17 pages, 5 figure

Quantum transport through single and multilayer icosahedral fullerenes

We use a tight-binding Hamiltonian and Green functions methods to calculate the quantum transmission through single-wall fullerenes and bilayered and trilayered onions of icosahedral symmetry attached to metallic leads. The electronic structure of the onion-like fullerenes takes into account the curvature and finite size of the fullerenes layers as well as the strength of the intershell interactions depending on to the number of interacting atom pairs belonging to adjacent shells. Misalignment of the symmetry axes of the concentric icosahedral shells produces breaking of the level degeneracies of the individual shells, giving rise some narrow quasi-continuum bands instead of the localized discrete peaks of the individual fullerenes. As a result, the transmission function for non symmetrical onions are rapidly varying functions of the Fermi energy. Furthermore, we found that most of the features of the transmission through the onions are due to the electronic structure of the outer shell with additional Fano-like antiresonances arising from coupling with or between the inner shells.Comment: 16 pages, 5 figur

Transmission through a quantum dot molecule embedded in an Aharonov-Bohm interferometer

We study theoretically the transmission through a quantum dot molecule embedded in the arms of an Aharonov-Bohm four quantum dot ring threaded by a magnetic flux. The tunable molecular coupling provides a transmission pathway between the interferometer arms in addition to those along the arms. From a decomposition of the transmission in terms of contributions from paths, we show that antiresonances in the transmission arise from the interference of the self-energy along different paths and that application of a magnetic flux can produce the suppression of such antiresonances. The occurrence of a period of twice the quantum of flux arises to the opening of transmission pathway through the dot molecule. Two different connections of the device to the leads are considered and their spectra of conductance are compared as a function of the tunable parameters of the model.Comment: 8 pages, 5 figure