Related papers: Charge transfer through single molecule contacts: …
This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of linear and quadratic response theories in describing charge…
Metals at the brink of electronic quantum phase transitions display high-temperature superconductivity, competing orders, and unconventional charge transport, revealing strong departures from conventional Fermi liquid behavior.…
The embedding method for the calculation of the conductance through interacting systems connected to single channel leads is generalized to obtain the full complex transmission amplitude that completely characterizes the effective…
Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only…
We propose a highly-scalable method to compute the statistics of charge transfer in driven conductors. The framework can be applied in situations of non-zero temperature, strong coupling to terminals and in the presence of non-periodic…
The breakdown of conductance quantization in a quantum point contact in the presence of random long-range impurity potential is discussed. It is shown that in the linear response regime a decisive role is played by the indirect…
Energy and charge transfer across metal-semiconductor interfaces are the fundamental driving forces for a broad range of applications, such as computing, energy harvesting, and photodetection. However, the exact roles and physical…
The present paper gives an elaborate theoretical description of a new molecular charge transport mechanism applying to a single molecule trapped between two macroscopic electrodes in a solid state device. It is shown by a Hubbard type model…
Molecular communication, as implied by its name, uses molecules as information carriers for communication between objects. It has an advantage over traditional electromagnetic-wave-based communication in that molecule-based systems could be…
Lead-halide perovskites are promising materials for opto-electronic applications. Recent reports indicated that their mechanical and electronic properties are strongly affected by the lattice vibrations. Herein we report far-infrared…
We consider a transmission of electrons through a two-dimensional ballistic point contact in the low-conductance regime below the 0.7-anomaly. The scattering of electrons by Friedel oscillations of charge density results in a contribution…
Ongoing experimental efforts to measure with unprecedented precision electron-capture probabilities challenges the current theoretical models. The short range of the weak interaction necessitates an accurate description of the atomic…
We have investigated the charge carrier transport in organic molecular semiconductors. It has been found that mobility is a function of electric field and temperature due to hopping conduction. Several theoretical models for charge…
Conceptualization, theory, method developments and implementations are always of great importance and an interesting task to explore a new dimension in science and technology, which is highly solicited for various functional-driven…
A theory of electrical transport through molecular wires is used to estimate the electronic factor in the intramolecular electron transfer (ET) in porphyrin-nitrobenzene supermolecules, and to analyze its structure. The chosen molecules…
The growing need for smaller electronic components has recently sparked the interest in the breakdown of the classical conductivity theory near the atomic scale, at which quantum effects should dominate. In 2012, experimental measurements…
Semiconductor devices favor high carrier mobility for reduced Joule heating and high thermal conductivity for rapid heat dissipation. The ability to accurately characterize the motion of charge carriers and heat carriers is necessary to…
As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we…
An approximate scaling relation is found for the transition temperature to a charge-density-wave instability in the anharmonic electron-phonon problem, which maps a wide range of interaction strengths, anharmonicities, and phonon…
Conversion of electric current into heat involves microscopic processes that operate on nanometer length-scales and release minute amounts of power. While central to our understanding of the electrical properties of materials, individual…