We develop a scattering theory of current-induced forces exerted by the conduction electrons of a general mesoscopic conductor on slow "mechanical" degrees of freedom. Our theory describes the current-induced forces both in and out of equilibrium in terms of the scattering matrix of the phase-coherent conductor. Under general nonequilibrium conditions, the resulting mechanical Langevin dynamics is subject to both nonconservative and velocity-dependent Lorentz-like forces, in addition to (possibly negative) friction. We illustrate our results with a two-mode model inspired by hydrogen molecules in a break junction which exhibits limit-cycle dynamics of the mechanical modes.

SummaryNanoelectromechanical systems are characterized by an intimate connection between electronic and mechanical degrees of freedom. Due to the nanoscopic scale, current flowing through the system noticeably impacts upons the vibrational dynamics of the device, complementing the effect of the vibrational modes on the electronic dynamics. We employ the scattering-matrix approach to quantum transport in order to develop a unified theory of nanoelectromechanical systems out of equilibrium. For a slow mechanical mode the current can be obtained from the Landauer–Büttiker formula in the strictly adiabatic limit. The leading correction to the adiabatic limit reduces to Brouwer’s formula for the current of a quantum pump in the absence of a bias voltage. The principal results of the present paper are the scattering-matrix expressions for the current-induced forces acting on the mechanical degrees of freedom. These forces control the Langevin dynamics of the mechanical modes. Specifically, we derive expressions for the (typically nonconservative) mean force, for the (possibly negative) damping force, an effective “Lorentz” force that exists even for time-reversal-invariant systems, and the fluctuating Langevin force originating from Nyquist and shot noise of the current flow. We apply our general formalism to several simple models that illustrate the peculiar nature of the current-induced forces. Specifically, we find that in out-of-equilibrium situations the current-induced forces can destabilize the mechanical vibrations and cause limit-cycle dynamics.

Anisotropic single-molecule magnets may be thought of as molecular switches, with possible applications to molecular spintronics. In this paper, we consider current-induced switching in singlemolecule junctions containing an anisotropic magnetic molecule. We assume that the carriers interact with the magnetic molecule through the exchange interaction and focus on the regime of high currents in which the molecular spin dynamics is slow compared to the time which the electrons spend on the molecule. In this limit, the molecular spin obeys a non-equilibrium Langevin equation which takes the form of a generalized Landau-Lifshitz-Gilbert equation and which we derive microscopically by means of a non-equilibrium Born-Oppenheimer approximation. We exploit this Langevin equation to identify the relevant switching mechanisms and to derive the current-induced switching rates. As a byproduct, we also derive S-matrix expressions for the various torques entering into the Landau-Lifshitz-Gilbert equation which generalize previous expressions in the literature to non-equilibrium situations.

An important goal in nanoelectromechanics is to cool the vibrational motion, ideally to its quantum ground state. Cooling by an applied charge current is a particularly simple and hence attractive strategy to this effect. Here we explore this phenomenon in the context of the general theory of thermoelectrics. In linear response, this theory describes thermoelectric refrigerators in terms of their cooling efficiency η and figure of merit ZT . We show that both concepts carry over to phonon cooling in nanoelectromechanical systems. As an important consequence, this allows us to discuss the efficiency of phonon refrigerators in relation to the fundamental Carnot efficiency. We illustrate these general concepts by thoroughly investigating a simple double-quantum-dot model with the dual advantage of being quite realistic experimentally and amenable to a largely analytical analysis theoretically. Specifically, we obtain results for the efficiency, the figure of merit, and the effective temperature of the vibrational motion in two regimes. In the quantum regime in which the vibrational motion is fast compared to the electronic degrees of freedom, we can describe the electronic and phononic dynamics of the model in terms of master equations. In the complementary classical regime of slow vibrational motion, the dynamics is described in terms of an appropriate Langevin equation. Remarkably, we find that the efficiency can approach the maximal Carnot value in the quantum regime, with large associated figures of merit. In contrast, the efficiencies are typically far from the Carnot limit in the classical regime. Our theoretical results should provide guidance to implementing efficient vibrational cooling of nanoelectromechanical systems in the laboratory.

We provide a theory of the electronic transport properties of a graphene layer functionalized with molecular switches. Our considerations are motivated by the spiropyran-merocyanine system which is non-polar in its ring-closed spiropyran form and zwitterionic in its ring-open merocyanine form. The reversible switching between these two isomers affects the carriers in graphene through the associated change in the molecular dipole moment, turning the graphene layer into a sensor of the molecular switching state. We present results for both the quasiclassical (Boltzmann) and the quantum coherent regimes of transport. Quite generally, we find a linear sensitivity of the conductance on the molecular dipole moment whenever quantum interference effects play an essential role which contrasts with a quadratic (and typically weaker) dependence when quantum interference is absent.