Related papers: Electroluminescence rectification and high harmoni…
The formation of diatomic molecules with rotational and vibrational coherence is demonstrated experimentally in free-to-bound two-photon femtosecond photoassociation of hot atoms. In a thermal gas at a temperature of 1000 K, pairs of…
We have combined ab initio quantum chemistry calculations with a rate-equation formalism to analyze electroluminescence spectra in single-molecule junctions, measured recently by several groups in Scanning Tunneling Microscope setups. In…
Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…
Electronic coherences are key to understanding and controlling photo-induced molecular transformations. We identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to…
The generation of photocurrents due to coupling of electrons to both classical and quantized electromagnetic fields in thin semiconductor films is described within the framework of the nonequilibrium Green's function formalism. For the…
We study theoretically the two-center interferences occurring in high harmonic generation from diatomic molecules. By solving the time-dependent Schroedinger equation, either numerically or with the molecular strong-field approximation, we…
We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…
The detection of electron motion and electronic wavepacket dynamics is one of the core goals of attosecond science. Recently, choosing the nitric oxide (NO) molecule as an example, we have introduced and demonstrated a new experimental…
An AC electric field applied to a junction comprising two spin-orbit coupled weak links connecting a quantum dot to two electronic terminals is proposed to induce a DC current and to generate a voltage drop over the junction if it is a part…
We perform a detailed analysis of high-order harmonic generation in diatomic molecules within the strong-field approximation, with emphasis on quantum-interference effects. Specifically, we investigate how the different types of electron…
We introduce a model description of a diatomic molecule in an optical cavity, with pump and fluorescent fields, and electron and nuclear motion are treated on equal footing and exactly. The model accounts for several optical response…
Asymmetric molecules look different when viewed from one side or the other. This difference influences the electronic structure of the valence electrons, thereby giving stereo sensitivity to chemistry and biology. We show that attosecond…
We investigate the generation of higher-order harmonics from a quantum optics perspective via the interaction of a semiconductor with a coherent pump field focusing on the regime where strong-field intraband excitations dominate. The…
We investigate the power-dependent photoluminescence spectra from a strongly coupled quantum dot-cavity system using a quantum master equation technique that accounts for incoherent pumping, pure dephasing, and fermion or boson statistics.…
The charge photogeneration process in organic molecules is investigated by a quantum heat engine model, in which two molecules are modeled by a two-spin system sandwiched between two bosonic baths at their own temperatures. The two baths…
We investigate the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The method we use combines a Green function approach to quantum transport with density functional theory…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a non-equilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation…
We explore theoretically the electroluminescence of single molecules. We adopt a local-electrode framework that is appropriate for scanning tunneling microscopy (STM) experiments where electroluminescence originates from individual…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…