Related papers: Charge Migration in Heterocyclic Five-Membered Rin…
We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e.,…
We use first-principle Quantum Monte-Carlo (QMC) simulations and numerical exact diagonalization to analyze the low-frequency charge carrier mobility within a simple tight-binding model of molecular organic semiconductors on a…
In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous electrodes from those in the…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
Short-in-time, broad-in-energy attosecond or few-femtosecond pulses can excite coherent superpositions of several electronic states in molecules. This results in ultrafast charge oscillations known as charge migration. A key open question…
We study the effect of the electron-electron interaction on the weak localization correction of a ring pierced by a magnetic flux. We compute exactly the path integral giving the magnetoconductivity for an isolated ring. The results are…
In this letter we explore how the microscopic dynamics of charge transfer (CT) excitons are influenced by the presence of an external magnetic field in disordered molecular semiconductors. This influence is driven by the dynamic interplay…
We investigate electron spin relaxation in GaAs in the proximity of a Fe/MgO layer using spin-resolved optical pump-probe spectroscopy, revealing a strong dependence of the spin relaxation time on the strength of an exchange-driven…
We study experimentally and theoretically the effects of disorder, nonlinear screening, and magnetism in semiconductor heterostructures containing a $\delta$-layer of Mn, where the charge carriers are confined within a quantum well and…
We address two-level systems arranged in ring configurations affected by static disorder. In particular we investigate the role of dephasing in the transport of an excitation along the ring. We compare the efficiency of the transfer process…
Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both intrinsic and extrinsic, especially for n-type materials. Intrinsic dynamic disorder stems from large thermal fluctuations both…
A joint theoretical and experimental investigation is performed to understand the underlying physics of laser-induced demagnetization in Ni and Co films. Experimentally dynamics of spins is studied by determining the time-dependent…
Electronic excitations in a ferromagnet can trigger ultrafast spin dynamics with potential applications in a speed increase in magnetic recording. The project investigates ultrafast magnetization dynamics, which is driven in metallic layers…
This Letter uncovers five distinct charge transport modes and their transitions in dual-energy electron beam diodes. We via first-principle particle-in-cell (PIC) simulations establish that the specific mode (e.g., space charge…
This study investigates the impact of exchange-correlation functional choices on the predictive accuracy of multiscale models for charge transport in organic semiconductors (OSCs). A hybrid functional approach is applied to analyze…
Magneto-transport properties are investigated in a binary alloy ring subjected to an Aharonov-Bohm (AB) flux \phi within a single-band non-interacting tight-binding framework. In the first part, we expose analytically the behavior of…
Single molecules that exhibit narrow optical transitions at cryogenic temperatures can be used as local electric-field sensors. We derive the single charge sensitivity of aromatic organic dye molecules, based on first principles. Through…
The study of electron transport through single molecules is essential to the development of molecular electronics. Indeed, trends in electronic conductance through organic nanowires have emerged with the increasing reliability of electron…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
Transition metal oxides are well known for their complex magnetic and electrical properties. When brought together in heterostructure geometries, they show particular promise for spintronics and colossal magnetoresistance applications. In…