Related papers: Non-linear thermoelectrics of molecular junctions …
We analytically tackle opto-vibronic interactions in molecular systems driven by either classical or quantum light fields. In particular, we examine a simple model of molecules with two relevant electronic levels, characterized by potential…
Due to their structured density of states, molecular junctions provide rich resources to filter and control the flow of electrons and phonons. Here we compute the out of equilibrium current-voltage characteristics and dissipated heat of…
We investigate the properties of the molecular quantum dot (Holstein-Anderson) model using numerical and analytical techniques. Path integral Monte Carlo simulations for the cumulants of the distribution function of the phonon coordinate…
Non-Hermitian topological systems have attracted a lot of research activities in recent times, both theoretically and experimentally, due to their unique physical properties and association with open quantum systems. We show that modular…
Within the Coulomb blockade regime, our study delves into the charge, spin, and thermoelectric transport characteristics in a benzene-based molecular nano-junction using the Pauli master equation and linear response theory. The charge- and…
The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this…
Recent experiments observe electric current generation at a sliding metal-semiconductor interfaces. Here, we present a detailed theoretical study on how electric voltage is generated at such a sliding interface. Our study is based on a…
The thermoelectric response of molecular junctions exhibits large fluctuations, as observed in recent experiments [e.g. Malen J. A. {\sl et al.}, Nano Lett. {\bf 10}, 3406 (2009)]. These were attributed to fluctuations in the energy…
The interplay between spin transport and thermoelectricity offers several novel ways of generating, manipulating, and detecting nonequilibrium spin in a wide range of materials. Here we formulate a phenomenological model in the spirit of…
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at…
Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…
We propose and analyze a new way of using $\pi$ stacking to design molecular junctions that either enhance or suppress a phononic heat current, but at the same time remain conductors for an electric current. Such functionality is highly…
In this paper we study analytically a one-dimensional model for a semiconductor-metal junction. We study the formation of Tamm states and how they evolve when the semi-infinite semiconductor and metal are coupled together. The non-linear…
We introduce and investigate material junctions as a generic and tuneable electronic platform for the realization of exotic non-Hermitian (NH) topological states of matter, where the NH character is induced by the surface self-energy of a…
We derive a Hierarchical Equations of Motion (HEOM) description of nonadiabatic Herzberg-Teller type coupling effects and of non-Condon effects in a system of electronic transitions interacting with intra- and inter-molecular vibrational…
The thermoelectric transport through a ring threaded by an Aharonov-Bohm flux, with a molecular bridge on one of its arms, is analyzed. The transport electrons also interact with the vibrational excitations of that molecule. This…
In the present work, we theoretically study the nonlinear regime of charge transport through a quantum dot coupled to the source and drain reservoirs. The investigation is carried out using a nonequilibrium Green's functions formalism…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
Using a stochastic quantum approach, we study thermoelectric transport phenomena at low temperatures in disordered electrical systems connected to external baths. We discuss three different models of one-dimensional disordered electrons,…
A full set of vibrationally-resolved cross sections for electron impact excitation of NO(X2{\Pi}, v) molecules is calculated from ab initio molecular dynamics, in the framework of the local-complex-potential approach. Electron-vibration…