相关论文: Current density, current-density pathways and mole…
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green's function method for transport, we demonstrate…
The effect of non-equilibrium constraints and dephasing on the circulating currents in molecular junctions are analyzed. Circulating currents are manifestations of quantum effects and can be induced either by externally applied bias or an…
The problem of determining a current density confined to a volume from measurements of the magnetic field it produces exterior to that volume is known to have non-unique solutions. To uniquely determine the current density, or the…
A dynamic response to a magnetic field of a chain of connected mesoscopic rings is considered. We show that the low frequency behavior corresponds to localization of the elctrons along the chain and to diamagnetic dynamic currents inside…
While mesoscopic conducting loops are sensitive to external magnetic fields, as seen by observations of the Aharonov-Bohm (AB) effect in such structures, the field needed to observe the AB periodicity in small molecular rings is…
This contribution presents numerical simulations of N-electron dynamics in heterocyclic five-membered ring molecules to shed light on the effect of molecular symmetry on charge migration. Laser-driven dynamics is studied using the hybrid…
A mechanism of current-induced magnetization reversal based on the parametric resonance is described. The source of the magnetization reversal is a current-induced magnetic field, which is applied perpendicularly to the easy axis of…
We investigate the effect of measurement on the persistent current density in a lattice ring penetrated by an Aharonov-Bohm flux and coupled to a quantum dot which is continuously monitored by a point contact detector. It is demonstrated by…
We introduce a new electronic aromaticity index, AV1245, consisting in the average of the 4-center MCI values along the ring that keep a positional relationship of 1,2,4,5. AV1245 measures the extent of transferability of the delocalized…
Persistent current and low-field magnetic susceptibility in single-channel normal metal rings threaded by a magnetic flux $\phi$ are investigated within the tight-binding framework considering long-range hopping of electrons in the {\em…
Permanent electronic ring currents can be supported within a manifold of $\Gamma_E$ degenerate excited electronic states as $E_{\pm} = E_x \pm i E_y$ excitations. This requires at least a 3-fold-symmetry rotational axis or higher, and…
We observe magnetization dynamics induced by spin momentum transfer in the noise spectra of current perpendicular to the plane giant magnetoresistance spin valves. The dynamics are observable only for those combinations of current direction…
Persistent and radiation-induced currents in distorted narrow quantum rings are theoretically investigated. We show that ring distorsions can be described using a geometrical potential term. We analyse the effect of this term on the current…
Spin-orbit coupling induces a current density in the ground state, which consequently requires a generalization for meta-generalized gradient approximations. That is, the exchange-correlation energy has to be constructed as an explicit…
Persistent currents and magnetization are considered for a two-dimensional electron (or gas of electrons) coupled to various magnetic fields. Thermodynamic formulae for the magnetization and the persistent current are established and the…
The persistent current is here studied in one-dimensional disordered rings that contain interacting electrons. We used the density matrix renormalization group algorithms in order to compute the stiffness, a measure that gives the magnitude…
Through the analysis of density of states (DOS), we study two different kinds of cyclic molecules, a sodium atomic circle and a Polycyclic Aromatic Hydrocarbons (PAH) molecule respectively under an external magnetic field. The results of…
Hyperpolarized nuclear spins in molecules exhibit high magnetization that is unachievable by classical polarization techniques, making them widely used as sensors in physics, chemistry, and medicine. The state of a hyperpolarized material,…
Recent precision measurements of mesoscopic persistent currents in normal-metal rings rely on the interaction between the magnetic moment generated by the current and a large applied magnetic field. Motivated by this technique, we extend…
The magnetization of a system of many mesoscopic rings under non-equilibrium conditions is considered. The corresponding disorder-averaged current in a ring is shown to be a sum of the `thermodynamic' and `kinetic' contributions both…