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Nonlinear current-induced forces in Si atomic wires

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 Added by Yu-Chang Chen
 Publication date 2002
  fields Physics
and research's language is English




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We report first-principles calculations of current-induced forces in Si atomic wires as a function of bias and wire length. We find that these forces are strongly nonlinear as a function of bias due to the competition between the force originating from the scattering states and the force due to bound states. We also find that the average force in the wire is larger the shorter the wire, suggesting that atomic wires are more difficult to break under current flow with increasing length. The last finding is in agreement with recent experimental data.



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Electronic current densities can reach extreme values in highly conducting nanostructures where constrictions limit current. For bias voltages on the 1 volt scale, the highly non-equilibrium situation can influence the electronic density between atoms, leading to significant inter-atomic forces. An easy interpretation of the non-equilibrium forces is currently not available. In this work, we present an ab-initio study based on density functional theory of bias-induced atomic forces in gated graphene nanoconstrictions consisting of junctions between graphene electrodes and graphene nano-ribbons in the presence of current. We find that current-induced bond-forces and bond-charges are correlated, while bond-forces are not simply correlated to bond-currents. We discuss, in particular, how the forces are related to induced charges and the electrostatic potential profile (voltage drop) across the junctions. For long current-carrying junctions we may separate the junction into a part with a voltage drop, and a part without voltage drop. The latter situation can be compared to a nano-ribbon in the presence of current using an ideal ballistic velocity-dependent occupation function. This shows how the combination of voltage drop and current give rise to the strongest current-induced forces in nanostructures.
In recent years, there has been an increasing interest in nanoelectromechanical devices, current-driven quantum machines, and the mechanical effects of electric currents on nanoscale conductors. Here, we carry out a thorough study of the current-induced forces and the electronic friction of systems whose electronic effective Hamiltonian can be described by an archetypal model, a single energy level coupled to two reservoirs. Our results can help better understand the general conditions that maximize the performance of different devices modeled as a quantum dot coupled to two electronic reservoirs. Additionally, they can be useful to rationalize the role of current-induced forces in the mechanical deformation of one-dimensional conductors.
Current induced forces are not only related with the discrete nature of electrons but also with its quantum character. It is natural then to wonder about the effect of decoherence. Here, we develop the theory of current induced forces including dephasing processes and we apply it to study adiabatic quantum motors (AQMs). The theory is based on Buttikers fictitious probe model which here is reformulated for this particular case. We prove that it accomplishes fluctuation-dissipation theorem. We also show that, in spite of decoherence, the total work performed by the current induced forces remains equal to the pumped charge per cycle times the voltage. We find that decoherence affects not only the current induced forces of the system but also its intrinsic friction and noise, modifying in a non trivial way the efficiency of AQMs. We apply the theory to study an AQM inspired by a classical peristaltic pump where we surprisingly find that decoherence can play a crucial role by triggering its operation. Our results can help to understand how environmentally induced dephasing affects the quantum behavior of nano-mechanical devices.
In recent years there has been an increasing interest in nanomachines. Among them, current-driven ones deserve special attention as quantum effects can play a significant role there. Examples of the latter are the so-called adiabatic quantum motors. In this work, we propose using Andersons localization to induce nonequilibrium forces in adiabatic quantum motors. We study the nonequilibrium current-induced forces and the maximum efficiency of these nanomotors in terms of their respective probability distribution functions. Expressions for these distribution functions are obtained in two characteristic regimes: the steady-state and the short-time regimes. Even though both regimes have distinctive expressions for their efficiencies, we find that, under certain conditions, the probability distribution functions of their maximum efficiency are approximately the same. Finally, we provide a simple relation to estimate the minimal disorder strength that should ensure efficient nanomotors.
The effect of electron-phonon interactions in the conductance through metallic atomic wires is theoretically analyzed. The proposed model allows to consider an atomic size region electrically and mechanically coupled to bulk electrodes. We show that under rather general conditions the features due to electron-phonon coupling are described by universal functions of the system transmission coefficients. It is predicted that the reduction of the conductance due to electron-phonon coupling which is observed close to perfect transmission should evolve into an enhancement at low transmission. This crossover can be understood in a transparent way as arising from the competition between elastic and inelastic processes.
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