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Physical review. B./Physical review. B

Wigner wave packets: Transmission, reflection, and tunneling

Kevin L. Jensen, Joel L. Lebowitz, Jeanne M. Riga, Donald A. Shiffler, Rebecca Seviour

Published Apr 26, 2021• 15 citations
Publisher

Abstract

A numerical solution to the time evolution equation of the Wigner distribution function (WDF) with an accuracy necessary to simulate the passage of a wave packet past a barrier is developed, where quantum effects require high accuracy and fine discretization. A wave packet incident on a barrier, a portion of which tunnels through, demonstrates behavior that can define various characteristic transmission and reflection delay (TARD) times useful in the simulation of electron emission. A model for the TARD times is proposed that relies only on the asymptotic maxima of the position $\ensuremath{\rho}(x,t)$ and wave number $\ensuremath{\rho}(k,t)$ densities given by the WDF and applied to a ballistic trajectory model for the (faster) transmitted and (slower) reflected parts. The dependence of the TARD times on barrier width, symmetry, and abruptness is analyzed. For symmetrical barriers with characteristics similar to field emission barrier heights and widths, TARD times are on the order of a fraction of a femtosecond. The TARD times for when tunneling predominates are contrasted to tunneling times in the literature. Use of the TARD times in simulations of field emission in nanogap devices or to model ultrashort pulses generated under rapidly changing conditions for electron sources are proposed.

DOI
10.1103/physrevb.103.155427

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A numerical solution to the time evolution equation of the Wigner distribution function (WDF) with an accuracy necessary to simulate the passage of a wave packet past a barrier is developed, where quantum effects require high accuracy and fine discretization. A wave packet incident on a barrier, a portion of which tunnels through, demonstrates behavior that can define various characteristic transmission and reflection delay (TARD) times useful in the simulation of electron emission. A model for the TARD times is proposed that relies only on the asymptotic maxima of the position \ensuremathρ(x,t)\ensuremath{\rho}(x,t)\ensuremathρ(x,t) and wave number \ensuremathρ(k,t)\ensuremath{\rho}(k,t)\ensuremathρ(k,t) densities given by the WDF and applied to a ballistic trajectory model for the (faster) transmitted and (slower) reflected parts. The dependence of the TARD times on barrier width, symmetry, and abruptness is analyzed. For symmetrical barriers with characteristics similar to field emission barrier heights and widths, TARD times are on the order of a fraction of a femtosecond. The TARD times for when tunneling predominates are contrasted to tunneling times in the literature. Use of the TARD times in simulations of field emission in nanogap devices or to model ultrashort pulses generated under rapidly changing conditions for electron sources are proposed.
Electron emission into a nanogap is not instantaneous, which presents a difficulty in simulating ultra-fast behavior using particle models. A method of approximating the transmission and reflection delay (TARD) times of a wave packet interacting with barriers described by a delta function, a metal–insulator–metal (MIM, rectangular) barrier, and a Fowler Nordheim (FN, triangular) barrier is given and has application to simulation. It is based on the superposition of a finite number of exact basis states obtained from Schrödinger’s equation, analogous to how quantum carpets are simulated. As a result, it can exactly and uniquely follow exponentially small tunneling currents. A Bohm-like trajectory is obtained from the time evolution of the density: it shows delay in both the transmitted and reflected packets that can be simply evaluated. The relations to prior studies of the analytic [Formula: see text]-function barrier and the Wigner distribution function (WDF) methods are described. A comparison of the TARD times is contrasted to alternate times in the Büttiker–Landauer (BL) and McColl–Hartman (MH) times; the MH approach is further reformulated explicitly in terms of Gamow factors to consider how the McColl–Hartman effect is to be related, particularly in the case of the FN barrier of field emission.
In this paper, we discuss the tunneling time of a quantum particle through a rectangular barrier. The reflection and transmission times associated with the wave packets representing the particle are discussed. By using an initial Gaussian momentum distribution, we carry out a comparative analysis of the stationary phases of the incident, reflected, and transmitted wave packets leading to the reflection and transmission times $\ensuremath{\Delta}{t}_{R}$ and $\ensuremath{\Delta}{t}_{T},$ respectively. In the present treatment of this old and very known problem we take into account the deformations of the reflected and transmitted momentum distributions. These deformations produce a dependence of the reflection and transmission times on the location of the initial wave packet. In a parallel calculation, by numerically monitoring the time evolution of the system, we characterize a reflection and a transmission time. Such times agree with the ones obtained via the stationary phase method.
The transmission of wave packets through barriers by tunneling is studied in detail by the method of quantum molecular dynamics. The distribution of the arrival times of a tunneling packet in front of and behind a barrier and the momentum distribution function of the packet are calculated. The average position and average momentum of the packet and their spread are investigated. It is found that below the barrier a part of the packet is reflected, and a Gaussian barrier increases the average momentum of the transmitted packet and its spread in momentum space.
We develop a new variant of the wave-packet analysis and solve the tunneling time problem for one particle. Our approach suggests an individual asymptotic description of the quantum subensembles of transmitted and reflected particles both at the final and initial stage of tunneling. We find the initial states of both subensembles, which are non-orthogonal. The latter reflects ultimately the fact that at the initial stage of tunneling it is impossible to predict whether a particle will be transmitted through or reflected off the barrier. At the same time, in this case, one can say about the to-be-transmitted and to-be-reflected subensembles of particles. We show that before the interaction of the incident packet with the barrier both the number of particles and the expectation value of the particle's momentum are constant for each subensemble. Besides, these asymptotic quantities coincide with those of the corresponding scattered subensemble. On the basis of this formalism we define individual delay times for both scattering channels. Taking into account the spreading of wave packets, we define the low bound of the scattering time to describe the whole quantum ensemble of particles. All three characteristic times are derived in terms of the expectation values of the position and momentum operators. The condition which must be fulfilled for completed scattering events is derived. We propose also the scheme of a {\it gedanken} experiment that allows one to verify our approach.
A known limitation of time-dependent mean-field approaches is a lack of quantum tunneling for collective motions such as in sub-barrier fusion reactions. As a first step toward a solution, a time-dependent model is considered using a superposition of Gaussian wave packets, to describe the relative motion between two colliding nuclei, which may be simplified to a problem for one particle in one dimension. In this article, how the model describes the potential-barrier transmission is investigated by paying attention to the time evolution of the phase space distribution, which in particular reveals that the behavior of the free propagation of the incoming state is not trivial, depending on the number of superposed wave packets. Passage over the barrier can occur due to the high-momentum components in the incoming state corresponding to energies above the barrier height, which is, however, of classical nature and needs to be distinguished from the true quantum tunneling. Although a transmitted wave packet in some case may end up with an energy lower than the barrier, a difficulty is noticed in guaranteeing the energy conservation when the energies of different exit channels, e.g. of transmission and reflection, are individually measured. To overcome these issues for a description of quantum tunneling is still a challenging problem. This article mainly treats the same system with the same model as in the paper Hasegawa, Hagino and Tanimura (2020) [1]. However, we reach different conclusions.
The reflection of wave packets from a quantum well bounded by rectangular potential barriers, and which has a tunneling transmission resonance, is discussed. Numeric solutions to Schrödinger’s time-dependent equation show that the shape of the probability function ψψ* for a reflected wave packet can be quite different from that of the incident packet. Either a symmetric double hump or an asymmetric shape are possible for the reflected ψψ*, depending on the sharpness of the resonance. These shapes are explained analytically in terms of the reflection coefficient.