In the present work we theoretically study characteristics of nonlinear Seebeck effect in a single-molecule junction with chain-like bridge of an arbitrary length. We have employed tight-binding models to compute electron transmission trough the system. We concentrate on analysis of dependences of thermovoltage $V_{th} $ and differential thermopower $ S $ on the bridge length. It is shown that $ V_{th} $ becomes stronger and $ S $ grows as the bridge lengthens. We discuss the effects of the bridge coupling to the electrodes and of specific characteristics of terminal sites on the bridge on the length-dependent $ V_{th} $ and $ S $ which appear when the system operates beyond linear response regime.
In the present work we theoretically study the length dependence of thermopower of a single-molecule junction with a chain-like molecular bridge of an arbitrary length using a tight-binding model. We analyze conditions bringing a nonlinear growth of the thermopower accompanying the extension of the bridge length. Also, we show that the thermopower may decrease with increasing molecular length provided that the molecular bridge is sufficiently long.
Spin-crossover (SCO) molecules are versatile magnetic switches with applications in molecular electronics and spintronics. Downscaling devices to the single-molecule level remains, however, a challenging task since the switching mechanism in bulk is mediated by cooperative intermolecular interactions. Here, we report on electron transport through individual Fe-SCO molecules coupled to few-layer graphene electrodes textit{via} $pi - pi$ stacking. We observe a distinct bistability in the conductance of the molecule and a careful comparison with density functional theory (DFT) calculations allows to associate the bistability with a SCO-induced orbital reconfiguration of the molecule. We find long spin-state lifetimes that are caused by the specific coordination of the magnetic core and the absence of intermolecular interactions according to our calculations. In contrast with bulk samples, the SCO transition is not triggered by temperature but induced by small perturbations in the molecule at any temperature. We propose plausible mechanisms that could trigger the SCO at the single-molecule level.
In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Greens functions formalism. We study combined effects of Coulomb interactions between charge carriers on the bridge and electron-phonon interactions on the thermocurrent beyond the linear response regime. It is shown that electron-vibron interactions may significantly affect both magnitude and direction of the thermocurrent, and vibrational signatures may appear.
We theoretically investigate quantum transport through single-molecule magnet (SMM) junctions with ferromagnetic and normal-metal leads in the sequential regime. The current obtained by means of the rate-equation gives rise to the tunneling anisotropic magnetoresistance (TAMR), which varies with the angle between the magnetization direction of ferromagnetic lead and the easy axis of SMM. The angular dependence of TAMR can serve as a probe to determine experimentally the easy axis of SMM. Moreover, it is demonstrated that both the magnitude and sign of TAMR are tunable by the bias voltage, suggesting a promising TAMR based spintronic molecule-device.
We study the spin transport theoretically in heterostructures consisting of a ferromagnetic metallic thin film sandwiched between heavy-metal and oxide layers. The spin current in the heavy metal layer is generated via the spin Hall effect, while the oxide layer induces at the interface with the ferromagnetic layer a spin-orbital coupling of the Rashba type. Impact of the spin Hall effect and Rashba spin-orbit coupling on the spin Seebeck current is explored with a particular emphasis on nonlinear effects. Technically, we employ the Fokker-Planck approach and contrast the analytical expressions with full numerical micromagnetic simulations. We show that when an external magnetic field is aligned parallel (antiparallel) to the Rashba field, the spin-orbit coupling enhances (reduces) the spin pumping current. In turn, the spin Hall effect and the Dzyaloshinskii-Moriya interaction are shown to increase the spin pumping current.
Natalya A. Zimbovskaya
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(2017)
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"Length-dependent Seebeck effect in single-molecule junctions beyond linear response regime"
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Natalya A. Zimbovskaya
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