Search results for "mesoscopic"
showing 10 items of 709 documents
Quantum interference and the time-dependent radiation of nanojunctions
2021
Using the recently developed time-dependent Landauer-B\"uttiker formalism and Jefimenko's retarded solutions to the Maxwell equations, we show how to compute the time-dependent electromagnetic field produced by the charge and current densities in nanojunctions out of equilibrium. We then apply this formalism to a benzene ring junction, and show that geometry-dependent quantum interference effects can be used to control the magnetic field in the vicinity of the molecule. Then, treating the molecular junction as a quantum emitter, we demonstrate clear signatures of the local molecular geometry in the non-local radiated power.
Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts
2020
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study [Mantha et al, Macromolecules 53, 3409 (2020)], we have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains …
Intense laser effects on donor impurity in a cylindrical single and vertically coupled quantum dots under combined effects of hydrostatic pressure an…
2010
WOS: 000280235800010
Comment on ``Friedel phases and phases of transmission amplitudes in quantum scattering systems" by T. Taniguchi and M. Buettiker
1999
We take a modified boundary condition at the dead end of a stub to simulate transmission zeroes being replaced by minima and then the discontinuous phase slip (or decrease) at the transmission zeroes are replaced by a continuous but rapid phase slip. The modified boundary condition can be continuously tuned to give the results of the stub with hard wall boundary condition at the dead end of stub. Even when the phase slip is continuous one can obtain information about the density of states in the stub region from the scattering phases.
Electron spectra in double quantum wells of different shapes
2022
We suggest a method for calculating electronic spectra in ordered and disordered semiconductor structures (superlattices) forming double quantum wells (QW). In our method, we represent the solution of Schr\"odinger equation for QW potential with the help of the solution of the corresponding diffusion equation. This is because the diffusion is the mechanism, which is primarily responsible for amorphization (disordering) of the QW structure, leading to so-called interface mixing. We show that the electron spectrum in such a structure depends on the shape of the quantum well, which, in turn, corresponds to an ordered or disordered structure. Namely, in a disordered substance, QW typically has …
Engineering the molecular structure to optimize the spin Hall signal in organics
2020
In this study, by engineering the molecular structure, we optimize the spin Hall conductivity and the spin Hall angle in organics by more than five and three orders of magnitude, respectively. We identify two important characteristics of organic molecules, namely substitution of heavy elements and the torsion angles between constituent units of the polymer, which have significant effects on the spin Hall signal. These characteristics are directly related to the spin-orbit coupling and the energetic disorder, both of which offer a wide scope of chemical tunability in high-mobility polymers. We compute the spin Hall characteristics for easily synthesized molecules and identify candidates to e…
Enhanced thermally-activated skyrmion diffusion in synthetic antiferromagnetic systems with tunable effective topological charge
2022
Magnetic skyrmions, topologically-stabilized spin textures that emerge in particular magnetic systems, have attracted attention due to a variety of electromagnetic responses that are governed by the topology. A well-studied effect of topology on the deterministic and drift motion under a nonequilibrium excitation is the so-called skyrmion Hall effect. For stochastic diffusive motion, the effect of topology is expected to have a drastically stronger impact, but the predicted even qualitative impact has not been demonstrated. The required tuning of the topology to achieve zero effective topological charge can be achieved using antiferromagnetic skyrmions. However, the diffusive motion has pre…
Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
2012
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applicational and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density-functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only single dephasing parameter. We investigated the length dependence and the inf…
Thermal conductivity of group-IV Semiconductors from a Kinetic-Collective Model
2014
The thermal conductivity of group-IV semiconductors (silicon, germanium, diamond and grey tin) with several isotopic compositions has been calculated from a kinetic-collective model. From this approach, significantly different to Callaway-like models in its physical interpretation, the thermal conductivity expression accounts for a transition from a kinetic (individual phonon transport) to a collective (hydrodynamic phonon transport) behaviour of the phonon field. Within the model, we confirm the theoretical proportionality between the phonon–phonon relaxation times of the group-IV semiconductors. This proportionality depends on some materials properties and it allows us to predict the ther…
Reduced thermal conductivity of TiNiSn/HfNiSn superlattices
2015
Diminution of the thermal conductivity is a crucial aspect in thermoelectric research. We report a systematic and significant reduction of the cross-plane thermal conductivity in a model system consisting of DC sputtered TiNiSn and HfNiSn half-Heusler superlattices. The reduction of $\kappa$ is measured by the 3$\omega$ method and originates from phonon scattering at the internal interfaces. Heat transport in the superlattices is calculated based on Boltzmann transport theory, including a diffusive mismatch model for the phonons at the internal interfaces. Down to superlattice periodicity of 3 nm the phonon spectrum mismatch between the superlattice components quantitatively explains the re…