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We outline the qualitatively different physics behind charging-induced current asymmetries in molecular conductors operating in the weakly interacting self-consistent field (SCF) and the strongly interacting Coulomb Blockade (CB) regimes. A conductance asymmetry arises in SCF because of the unequal mean-field potentials that shift a closed-shell conducting level differently for positive and negative bias. A very different current asymmetry arises for CB due to the unequal number of open-shell excitation channels at opposite bias voltages. The CB regime, dominated by single charge effects, typically requires a computationally demanding many-electron or Fock space description. However, our analysis of molecular Coulomb Blockade measurements reveals that many novel signatures can be explained using a {{simpler}} orthodox model that involves an incoherent sum of Fock space excitations and {it{hence treats the molecule as a metallic dot or an island}}. This also reduces the complexity of the Fock space description by just including various charge configurations only, thus partially underscoring the importance of electronic structure, while retaining the essence of the single charge nature of the transport process. We finally point out, however, that the inclusion of electronic structure and hence well-resolved Fock space excitations is crucial in some notable examples.
We report the realization of an ultra-efficient low-temperature hybrid heat current rectifier, thermal counterpart of the well-known electric diode. Our design is based on a tunnel junction between two different elements: a normal metal and a superco
We investigate conductance fluctuations as a function of carrier density $n$ and magnetic field in diffusive mesoscopic samples made from monolayer and bilayer graphene. We show that the fluctuations correlation energy and field, which are functions
We extend the ab initio molecular dynamics (AIMD) method based on density functional theory to the nonequilibrium situation where an electronic current is present in the electronic system. The dynamics is treated using the semi-classical generalized
An anomalous Hall effect and rectification of a Hall voltage are observed by applying a radio-frequency (rf) current through a single-layered ferromagnetic wire located on a coplanar waveguide. The components of the magnetization precession, both in
The electrostatic potential across a short ballistic molecular conductor depends sensitively on the geometry of its environment, and can affect its conduction significantly by influencing its energy levels and wave functions. We illustrate some of th