Related papers: On the illusory connection between cross-conjugati…
Quantum interference can profoundly affect charge transport in single molecules, but experiments can usually measure only the conductance at the Fermi energy. Because in general the most pronounced features of the quantum interference are…
We study the charge transport properties of triangular quantum dot molecule (TQDM) connected to metallic electrodes, taking into account all correlation functions and relevant charging states. The quantum interference (QI) effect of TQDM…
Quantum interference in coherent transport through single molecular rings may provide a mechanism to control current in molecular electronics. We investigate its applicability by using a single-particle Green function method combined with…
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…
We observe dressed states and quantum interference effects in a strongly driven three-level quantum dot ladder system. The effect of a strong coupling field on one dipole transition is measured by a weak probe field on the second dipole…
The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…
Recent experiments have shown that fullerene and fluorofullerene molecules can produce interference patterns. These molecules have both rotational and vibrational degrees of freedom. This leads one to ask whether these internal motions can…
Destructive quantum interference (QI) has been a source of interest as a new paradigm for molecular electronics as the electronic conductance is widely dependent on the occurrence or absence of destructive QI effects. In order to interpret…
This lecture is a tutorial introduction to coherent effects in disordered electronic systems. Avoiding technicalities as most as possible, I present some personal points of view to describe well-known signatures of phase coherence like weak…
The exploring and understanding the electronic properties of molecules connected to metallic leads is a vital part of nanoscience if molecule is to have a future. This thesis documents a study for various families of organic and…
Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…
We present a general analytical formula and an ab initio study of quantum interference in multi-branch molecules. Ab initio calculations are used to investigate quantum interference in a benzene-1,2-dithiolate (BDT) molecule sandwiched…
We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…
Destructive quantum interference in single molecule electronics is an intriguing phe- nomenon; however, distinguishing quantum interference effects from generically low transmission is not trivial. In this paper, we discuss how quantum…
When a cerocene molecule is chemisorbed on metallic substrate, or when an asymmetric double dot is hybridized with itinerant electrons, its singlet ground state crosses its lowly excited triplet state, leading to a competition between the…
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing ferrocene moieties in both branches which due to their metal…
We discuss the effect of quantum interference on transport through a quantum dot system. We introduce an indirect coherent coupling parameter alpha, which provides constructive/destructive interference in the transport current depending on…
A quantum interference effect is discussed for subgap tunneling over a distance comparable to the coherence length, which is a consequence of ``advanced-advanced'' and ``retarded-retarded'' transmission modes [Altland and Zirnbauer, Phys.…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
The ground states of artificial molecules made of two vertically coupled quantum rings are studied within the spin density functional theory for systems containing up to 13 electrons. Quantum tunneling effects on the electronic structure of…