Related papers: Real-time density matrix renormalization group dyn…
In this work we use a three-dimensional Pauli master equation to investigate the charge carrier mobility of a two-phase system, which can mimic donor-acceptor and amorphous- crystalline bulk heterojunctions. Our approach can be separated…
Polyampholytes (PA) are charged polymers composed of positively and negatively charged monomers along their backbone. The sequence of the charged monomers and the bending of the chain significantly influence the conformation and dynamical…
The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the…
We theoretically predict spatial separation of spin-polarized ballistic currents in transition metal dichalcogenides (TMDs) due to trigonal warping. We quantify the effect in terms of spin polarization of charge carrier currents in a…
Modifying the hexagonal lattices of graphene enables the repositioning and merging of the Dirac cones which proves to be a key element in the use of these materials for alternative electronic applications such as valleytronics. Here we…
We consider the momentum distribution and the polarization of an inclusive heavy fermion in a process assumed to arise from standard-model (SM) $s$-channel exchange of a virtual $\gamma$ or $Z$ with a further contribution from physics…
We theoretically investigate the flow of the atomic excitations in a driven chiral-coupled atomic chain with nonreciprocal decay channels. This one-dimensional system allows infinite-range dipole-dipole interaction, and enables directional…
Establishing the conditions under which orbital, spin and lattice-pseudospin degrees of freedom are mutually coupled in realistic nonequilibrium conditions is a major goal in the emergent field of graphene spintronics. Here, we use…
In this paper we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor-bridge-acceptor…
We report on a theoretical investigation concerning the polaronic effect on the transport properties of a charge carrier in the one-dimensional molecular chain. Our technique is based on the Feynman's path integral approach. Analytical…
The dynamics of a globally neutral system of diffusing Coulomb charges in two dimensions, driven by an applied electric field, is studied in a wide temperature range around the Berezinskii-Kosterlitz-Thouless transition. I argue that the…
We present a methodology to address, from first principles, charge-spin interconversion in two-dimensional materials with spin-orbit coupling. Our study relies on an implementation of density functional theory based quantum transport…
In organic bulk heterojunction materials, charge delocalization has been proposed to play a vital role in the generation of free carriers by reducing the Coulomb attraction via an interfacial charge transfer exciton (CTX). Pump-push-probe…
Charge carrier localization in extended atomic systems has been described previously as being driven by disorder, point defects or distortions of the ionic lattice. Here we show for the first time by means of first-principles computations…
Shape transformations in driven and damped molecular chains are considered. Closed chains of weakly coupled molecular subunits under the action of spatially homogeneous time-periodic external field are studied. The coupling between the…
One of the important issues of molecular spintronics is the control and manipulation of charge transport and, in particular, its spin polarization through single-molecule junctions. Using $ab$ $initio$ calculations, we explore…
We investigate the transport properties of particles driven by colored noise in a flashing ratchet potential, focusing on both non-interacting and single-file interacting regimes. The model incorporates memory effects via a non-Markovian…
A method for the study of the electronic transport in strongly coupled electron-phonon systems is formalized and applied to a model of polyyne chains biased through metallic Au leads. We derive a stationary non equilibrium polaronic theory…
We present a generalized adaptive time-dependent density matrix renormalization group (DMRG) scheme, called the {\it double time window targeting} (DTWT) technique, which gives accurate results with nominal computational resources, within…
We study the ballistic-to-diffusive transition induced by the weak breaking of integrability in a boundary-driven XXZ spin-chain. Studying the evolution of the spin current density $\mathcal J^s$ as a function of the system size $L$, we…