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The Journal of Chemical Physics

Tunneling in asymmetric double-well potentials

Jerome H. Weiner, Simon T. Tse

Published Feb 15, 1981• 21 citations
Publisher

Abstract

Methods previously developed for the case of a symmetric double-well potential are here extended to study tunneling in an asymmetric, piecewise harmonic, double-well potential. The approach involves the decomposition of the real stationary states into complex right- and left-moving states and the determination of exact transmission coefficients for the latter. Numerical solutions for a selection of representative parameter values are obtained for the time evolution of states which correspond initially to a Gaussian wave packet localized in the upper well. Both resonant and nonresonant cases are studied and the significance of the transmission coefficient is established for each.

DOI
10.1063/1.441364

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Methods previously developed for the case of a symmetric double-well potential are here extended to study tunneling in an asymmetric, piecewise harmonic, double-well potential. The approach involves the decomposition of the real stationary states into complex right- and left-moving states and the determination of exact transmission coefficients for the latter. Numerical solutions for a selection of representative parameter values are obtained for the time evolution of states which correspond initially to a Gaussian wave packet localized in the upper well. Both resonant and nonresonant cases are studied and the significance of the transmission coefficient is established for each.
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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.
The time evolution of quantum mechanical states in a square well of infinite depth with a Dirac δ function at its center has been examined for cases where the initial state was localized in one of the wells. Let well A denote the well in which the initial state is localized, and let P(t) denote the integrated probability density Ψ*Ψ in well A. For opaque barriers the time-dependent system is adequately described by a two-state model in which only the pair of stationary states of even and odd parity are considered whose wave functions in well A, apart from an arbitrary phase factor, are largely identical with the wave function of the initial state. For P(t) a harmonic oscillation is observed whose frequency νt is well approximated by the well-known formula for the tunneling frequency νt≂ΔE/h, where ΔE represents the energy separation among the pair of states in the model. For the present model of a symmetric double well it has been shown that for highly transparent barriers a three-state model can describe the time evolution adequately. The three stationary states involved in this model are a state of odd parity whose wave function in well A is largely the same as the wave function of the initial state and a pair of stationary states of even parity which on the energy scale are immediately above and below the first state. In this three-state model the function P(t) is a superposition of two sinusoidal functions with nearly identical amplitudes and frequencies plus a constant. As a consequence, the amplitude of P(t) changes harmonically. In the present model a δ function has been used as a barrier in order to minimize the mathematical detail involved in the time-dependent treatment. It is to be expected that the beating in P(t) can be observed also in the time evolution of a state localized in one of the wells of a symmetric double-minimum potential with a more realistic ‘‘low’’ barrier if the density of energy levels near the energies of the levels to be considered in the corresponding three-state model varies slowly with energy.
Abstract This paper examines tunnelling through potential well protected by double barriers as well as the motion of a wave packet encountering this type of potential. Various options for the left and right barriers’ penetration factors are taken into consideration. When one of the penetration factors has limiting value of 0.5, the transmission coefficients turns out to be independent of incoming energy of the particle and the width of potential well. When both penetration factors have a limiting value of 0.5, a scenario similar to resonance tunneling is achieved. Furthermore, by doing the wave packet analysis, we found that the width and height of potential barriers have a negligible impact on the probability of finding the particle inside the potential well in the limit of large penetration factors.