Spin inelastic currents in molecular ring junctions

Abstract

Within a simple model we discuss spin inelastic currents in molecular ring junctions. We generalize considerations of the spin-flip inelastic electron tunneling spectroscopy (IETS) to the case of multi-site molecular system, and formulate a conserving approximation, which takes into account renormalization of elastic channel. We also extend recent studies of circular currents in molecular junctions beyond scattering theory formulation. We demonstrate control of the spin-flip IETS signal and discuss spin polarization of total and circular currents in a benzene ring junction.

Classical limit of a quantal nano-magnet in an anisotropic environment

“…These works triggered parallel theoretical studies, in particular on the dynamical aspects (see e.g. [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31], [31] is a recent review). In all these discussions, the magnetic moment of the adsorbate was taken proportional to a quantal angular momentum with a ratio equal to the gyromagnetic factor, i.e.…”

Coherence in charge and energy transfer in molecular junctions

“…In particular, we demonstrate possibilities for laser-induced coherent control of the relative magnitude of energy and charge fluxes generated by a molecular pump. Inspired by the known effect of charge and spin separation in molecular systems [56][57][58][59] we also demonstrate a possibility to coherently control the spatial separation of charge and energy fluxes in properly designed multiterminal molecular junctions.…”

On simulation of local fluxes in molecular junctions

“…We see that vortices disappear when electron coupling to molecular vibrations is taken into account. Note also that analysis of inelastic circular flux using bond currents [16] should be done with caution: while effectively zero flux (see Fig. 5d) through bonds of the molecule can be presented as cancellation between circular and directed components in elastic transport [28], similar assumption in the presence of vertical energy flow (inelastic effects) is questionable.…”

“…Bond currents, although helpful, suffer from two significant shortcomings. First, exact formulation of bond currents is possible in non-interacting systems only: any interaction mixes different bond contributions, only approximate treatment is possible in this case [16,18]. Second, bond currents are good indicators of charge (and, possibly, also energy) flow only when the flow is dominated by through-bonds paths.…”