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The nonlinear electronic transport properties of a ballistic Aharonov-Bohm ring are investigated. It is demonstrated how the electronic interaction breaks the phase rigidity in a two-probe mesoscopic device as the voltage bias is increased.…
We study the quantum interference effects induced by the Aharonov-Casher phase in asymmetrically confined two-dimensional electron and heavy-hole ring structures systems taking into account the electrically tunable spin-orbit (SO)…
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…
We study the significance and characteristics of interfacial dynamical charge transfer at metal-organic interfaces for the organic semiconductor model system 1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA) on Ag(111) quantitatively.…
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…
Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…
We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due…
We investigate the spin-dependent dynamical response of a quantum ring with a spin-orbit interaction upon the application of linearly polarized, picosecond, asymmetric electromagnetic pulses. The oscillations of the generated dipole moment…
Novel perspectives of controlling molecular systems have recently arisen from the possibility of generating attosecond pulses in the ultraviolet regime and tailoring electron dynamics in its natural time scale. The cornerstone mechanism is…
We study weak localization in chains of metallic rings. We show than nonlocality of quantum transport can drastically affect the behaviour of the harmonics of magnetoconductance oscillations. Two different geometries are considered: the…
We investigate low-temperature electronic states of the series of organic conductors $\beta^{\prime\prime}$-(BEDT-TTF)$_4$[(H$_3$O)M(C$_2$O$_4$)$_3$]G, where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene, and M and G represent trivalent…
High charge mobility in active layers of organic electronic devices is often necessary for their efficient operation. As a result, search for high-mobility materials among the plethora of synthesizable organic semiconductors is of paramount…
The trajectory surface hopping method has been widely used in the simulation of charge transport in organic semiconductors. In the present study, we employ the machine learning (ML) based Hamiltonian to simulate the charge transport in…
In this paper we study the dynamical properties of charged systems immersed in an external magnetic field and perturbed by a set of scalar operators breaking translations either spontaneously or pseudo-spontaneously. By combining…
Spatially-structured laser beams, eventually carrying orbital angular momentum, affect electronic transitions of atoms and their motional states in a complex way. We present a general framework, based on the spherical tensor decomposition…
Diffusion-driven processes are important phenomena of materials science in the field of energy conversion and transmission. During the conversion from chemical energy to electrical energy, the species diffusion is generally linked to the…
We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated…
The spin dynamics of a hydrogen atom during the passage of a periodic magnetic structure is discussed. The occupation numbers of the components of the hyperfine structure are considered as a function of time. The characteristic…
Oxide heterostructures allow for detailed studies of 2D electronic transport phenomena. Herein, different facets of magnetotransport in selected spin-orbit-coupled systems are analyzed and characterized by their single-band and multiband…
We investigate the spin-dependent transport properties of a two-dimensional electron gas formed at oxides' interface in the presence of a magnetic field. We consider several scenarios for the oxides' properties, including oxides with…