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Low Temperature Physics

Strong tunneling in the electron box: a path integral Monte Carlo analysis

Carlos P. Herrero, Gerd Schön, Andrei D. Zaikin

Published Jan 1, 2001• 0 citations
OpenAlex

Abstract

Abstract Strong electron tunneling effects in the single-electron box are investigated by means of a path integral Monte Carlo analysis. Our results for the effective capacitance of the box are compared to previous theoretical predictions and Monte Carlo simulations. We discuss the accuracy of our simulations and convergence of our results as a function of the Trotter number used in the discretization of the path integrals.

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Abstract Strong electron tunneling effects in the single-electron box are investigated by means of a path integral Monte Carlo analysis. Our results for the effective capacitance of the box are compared to previous theoretical predictions and Monte Carlo simulations. We discuss the accuracy of our simulations and convergence of our results as a function of the Trotter number used in the discretization of the path integrals.
We present numerical results on electron tunneling in a single-electron box at low temperature. The effective action of this device is equivalent to the Hamiltonian of a classical XY spin chain with long ranged interactions. Using an efficient cluster algorithm and a new transition matrix Monte Carlo approach, we are able to compute the effective charging energy EC∗E_C^*EC∗​ in the limit of very small tunneling resistance. While previous Monte Carlo simulations were restricted to the weak and intermediate tunneling regimes, our method extends the range of EC∗E_C^*EC∗​-values by more than 30 orders of magnitude. This allows us to clearly observe the exponential suppression of EC∗E_C^*EC∗​ with increasing tunneling conductance ααα. For large, but fixed ααα, the correction to the leading exponential behavior exhibits a crossover from an intermediate temperature behavior at βEC∗≪1βE_C^* \ll 1βEC∗​≪1, to zero temperature behavior at βEC∗≫1βE_C^*\gg 1βEC∗​≫1. We determine this correction in both regimes and compare the numerical results to the numerous and controversial theoretical predictions for the strong tunneling limit.
Abstract The path integral discussed in the preceding chapters can be exactly calculated only in a few restricted systems such as harmonic oscillators. The WKB method and perturbational expansions based on the above path integral method are in fact applicable to systems close to classical ones and weakly interacting systems, respectively. However, in order to study interesting phenomena such as high Tc superconductivity, we have to treat strongly correlated systems in which the quantum effect plays an important role. It is effective in these systems to extract some physically crucial contributions numerically. This will be possible if we use the quantum Monte Carlo method. Although there are many different types of quantum Monte Carlo methods, we explain here mainly the quantum statistical Monte Carlo method based on a Trotter-like formula and on the important sampling method applied to transformed classical systems.
We explore to what extent path-integral quantum Monte Carlo methods can efficiently simulate quantum adiabatic optimization algorithms during a quantum tunneling process. Specifically we look at symmetric cost functions defined over nnn bits with a single potential barrier that a successful quantum adiabatic optimization algorithm will have to tunnel through. The height and width of this barrier depend on nnn, and by tuning these dependencies, we can make the optimization algorithm succeed or fail in polynomial time. In this article we compare the strength of quantum adiabatic tunneling with that of path-integral quantum Monte Carlo methods. We find numerical evidence that quantum Monte Carlo algorithms will succeed in the same regimes where quantum adiabatic optimization succeeds.
A path-integral quantum Monte Carlo method is applied to the two-dimensional single-polaron Holstein model. Simulation data are shown to exhibit -scaling with the number of imaginary-time slices M used in the Trotter decomposition. Numerical extrapolation to yields very accurate estimation of polaron energetic characteristics. Kinetic, potential and total energy are calculated as functions of the electron - phonon coupling strength for different phonon frequencies. The small-polaron regime is found in the strong-coupling limit for all of the frequencies studied. The transition to the polaron state is sharp in the adiabatic regime but broadens as the frequency increases. In the adiabatic limit the polaron forms at .