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International Workshop on Computational Electronics

Understandable algorithm for exchange interaction: Quantum noise in nanoelectronic devices

Enrique Colomés, Damiano Marian, Xavier Oriols

Published Jun 1, 2014• 0 citations
Publisher

Abstract

The effect of exchange interaction on the scattering probabilities of two electrons injected simultaneously from different sources into a tunneling barrier is analyzed using time-dependent antisymmetric wave functions. Quantum noise for two electrons is calculated using this algorithm showing excellent agreement with Büttiker results for typical scenarios, while new results are obtained for more complex scenarios.

DOI
10.1109/iwce.2014.6865811

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arXiv:1408.0388•Journal of Physics Condensed Matter•Jul 12, 2013•19 citations
The effect of exchange interaction on the scattering probabilities of two electrons injected simultaneously from different sources into a tunneling barrier is analyzed using time-dependent antisymmetric wave functions. Quantum noise for two electrons is calculated using this algorithm showing excellent agreement with Büttiker results for typical scenarios, while new results are obtained for more complex scenarios.
Abstract. Quantum noise with exchange and tunnelling is studied within time-dependent wave packets. A novel expression for the quantum noise of two identical particles injected simultaneously from opposite sides of a tunnelling barrier is presented. Such quantum noise expression provides a physical (non-spurious) explanation for the experimental detection of two electrons at the same side under static potentials. Numerical simulations of the two-particle scattering probabilities in a double barrier potential with an oscillatory well are performed. The dependence of the quantum noise on the electron energy and oscillatory frequency is analysed. The peculiar behaviour of the dependence of the quantum noise on such parameters is proposed as a test about the soundness of this novel quantum noise expression, for either static or oscillatory potentials.
Quantum transport is commonly studied with the use of quasi-particle infinite- extended states. This leads to a powerful formalism, the scattering-states theory, able to capture in compact formulas quantities of interest, such as average current, noise, etc.. However, when investigating the spatial size-dependence of quasi-particle wave packets in quantum noise with exchange and tunneling, unexpected new terms appear in the quantum noise expression. For this purpose, the two particle transmission and reflection probabilities for two initial one-particle wave packets (with opposite central momentums) spatially localized at each side of a potential barrier are studied. After the interaction, each wave packet splits into a transmitted and a reflected component. It can be shown that the probability of detecting two (identically injected) electrons at the same side of the barrier is different from zero in very common (single or double barrier) scenarios. This originates an increase of quantum noise which cannot be obtained through the scattering states formalism.
Two-particle scattering probabilities in tunneling scenarios with exchange interaction are analyzed with quasi-particle wave packets. Two initial one-particle wave packets (with opposite central momentums) are spatially localized at each side of a barrier. After impinging upon a tunneling barrier, each wave packet splits into transmitted and reflected components. When the initial two-particle anti-symmetrical state is defined as a Slater determinant of any type of (normalizable) one-particle wave packet, it is shown that the probability of detecting two (identically injected) electrons at the same side of the barrier is different from zero in very common (single or double barrier) scenarios. In some particular scenarios, the transmitted and reflected components become orthogonal and the mentioned probabilities reproduce those values associated to distinguishable particles. These unexpected non-zero probabilities are still present when non-separable Coulomb interaction or non-symmetrical potentials are considered. On the other hand, for initial wave packets close to Hamiltonian eigenstates, the usual zero two-particle probability for electrons at the same side of the barrier found in the literature is recovered. The generalization to many-particle scattering probabilities with quasi-particle wave packets for low and high phase-space density are also analyzed. The far-reaching consequences of these non-zero probabilities in the accurate evaluation of quantum noise in mesoscopic systems are briefly indicated.
When talking about noise in quantum devices two issues must be faced: how to model the evolution of an electronic system with scattering and how this noise is practically computed in a quantum device simulator. In the present paper, we address both problems from a practical and computational point of view. In particular, as the electronic quantum subsystem is an open (normally far from equilibrium) system, we use the notion of conditional wave function, the wave function of a subsystem in Bohmian mechanics, an alternative version of quantum mechanics which along with the wave function posited definite positions for the particles. This allows us to define an effective equation in several physical situations, ranging from the simple tunneling barrier to the interaction with a bath of phonons. Finally, we present how this development can be used to compute quantum noise in a quantum device simulator.
In this work, quantum noise is reformulated taking into account the finite size of (normalizable) wave functions associated to electrons. We consider two-particle scattering with tunneling and exchange. This reformulation provides a richer phenomenology compared to timeindependent approaches, such as the Landauer-Buttiker formalism. It is proved that, depending on the scenario, the noise associated to identical electrons may behave as the one for distinguishable particles. In addition, it is showed that new contributions to the quantum noise appear.
Following Oriols (2007 Phys. Rev. Lett. 98 066803), an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it exactly ensures that any observable is totally independent of the interchange of particles. It is based on the use of conditional Bohmian wave functions which are solutions of single-particle pseudo-Schrödinger equations. The exchange symmetry is directly defined by demanding symmetry properties of the quantum trajectories in the configuration space with a universal algorithm, rather than through a particular exchange-correlation functional introduced into the single-particle pseudo-Schrödinger equation. It requires the computation of N(2) conditional wave functions to deal with N identical particles. For separable Hamiltonians, the algorithm reduces to the standard Slater determinant for fermions (or permanent for bosons). A numerical test for a two-particle system, where exact solutions for non-separable Hamiltonians are computationally accessible, is presented. The numerical viability of the algorithm for quantum electron transport (in a far-from-equilibrium time-dependent open system) is demonstrated by computing the current and fluctuations in a nano-resistor, with exchange and Coulomb interactions among electrons.