Related papers: Spiro-Conjugated Molecular Junctions: between Jahn…
The manipulation of single spins through spin-polarized tunneling opens new routes for quantum control at the atomic scale. We present a theoretical framework describing spin-transfer, spin torques and spin resonance in molecular quantum…
Coherent electronic transport in single-molecule junctions is investigated in the Coulomb blockade regime. Both the transmission phase and probability are calculated for junctions with various contact symmetries. A dramatic suppression of…
We explore quantum correlations, in particular, quantum entanglement, among vibrational phonon modes as well as between electronic and vibrational degrees of freedom in molecular systems, described by Jahn-Teller mechanism. Specifically, to…
Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-equilibrium many-body quantum systems, with few parallels in…
Destructive quantum interference in single molecule electronics is an intriguing phe- nomenon; however, distinguishing quantum interference effects from generically low transmission is not trivial. In this paper, we discuss how quantum…
A single molecule break junction device serves as a tunable model system for probing the many body Kondo state. The low-energy properties of this state are commonly described in terms of a Kondo model, where the response of the system to…
We calculate quantum transport for metal-graphene nanoribbon heterojunctions within the atomistic self-consistent Schr\"odinger/Poisson scheme. Attention is paid on both the chemical aspects of the interface bonding as well the…
Recent demonstrations of magnetic ordering and spin transport in two-dimensional heterostructures have opened research venues in these material systems. In order to control and enhance the related physical phenomena, quantitative…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and…
Controlling quantum interference near avoided energy-level crossings is crucial for fast and reliable coherent manipulation in quantum information processing. However, achieving tunable quantum interference in atomically-precise engineered…
An important consequence of the discovery of giant magnetoresistance in metallic magnetic multilayers is a broad interest in spin dependent effects in electronic transport through magnetic nanostructures. An example of such systems are…
We present a theoretical framework for the coherent coupling between Stokes and anti-Stokes scattering processes, revealing interference phenomena inaccessible to either process alone. Within a dispersive-interaction model beyond the…
Conductance through a system consisting of a wire with side-attached quantum dots is calculated. Such geometry of the device allows to study the coexistence of quantum interference, electron correlations and their influence on conductance.…
We investigate electron transport through azulene molecule with four distinct electrode contact geometries using the non-equilibrium Green's function formalism within the tight-binding Hamiltonian. Employing the Q-matrix approach, we…
We investigate the Jahn-Teller structural phase transition in LaMnO$_3$ at $T_{JT} \simeq 750$ K using molecular dynamics simulations based on machine-learning force fields trained on ab initio data. Analysis of the site-site correlation…
Selected problems of fundamental importance for spintronics and spin-polarized transport are reviewed, some of them with a special emphasis on their applications in quantum computing and coherent control of quantum dynamics. The role of the…
We consider electronic transport through a single-molecule junction where the molecule has a degenerate spectrum. Unlike previous transport models, and theories a rate-equations description is no longer possible, and the quantum coherences…
We investigate the nuclear dynamics near a real-valued conical intersection that is perturbed by a complex-valued spin-orbit coupling. For a model Hamiltonian with two outgoing channels, we find that even a small spin-orbit coupling can…
We analyze an interplay between the proximity effect and quantum interference of electrons in hybrid structures superconductor-normal metal-superconductor which contain several insulating barriers. We demonstrate that the dc Josephson…