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Chinese Physics B

Quantum nature of proton transferring across one-dimensional potential fields*

Cheng Bi, Quan Chen, Wei Li, Yong Yang

Published Jan 29, 2021• 6 citations
Publisher

Abstract

Proton transfer plays a key role in the applications of advanced energy materials as well as in the functionalities of biological systems. In this work, based on the transfer matrix method, we study the quantum effects of proton transfer in a series of one-dimensional (1D) model potentials and numerically calculate the quantum probability of transferring across single and double barriers (wells). In the case of single barriers, when the incident energies of protons are above the barrier height, the quantum oscillations in the transmission coefficients depend on the geometric shape of the barriers. It is found that atomic resonant tunneling (ART) not only presents in the rectangular single well and rectangular double barriers as expected, but also exists in the other types of potential wells and double barriers. For hetero-structured double barriers, there is no resonant tunneling in the classical forbidden zone, i.e., in the case when the incident energy (E i) is lower than the barrier height (E b). Furthermore, we have provided generalized analysis on the characteristics of transmission coefficients of hetero-structured rectangular double barriers.

DOI
10.1088/1674-1056/abe114

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Proton transfer plays a key role in the applications of advanced energy materials as well as in the functionalities of biological systems. In this work, based on the transfer matrix method, we study the quantum effects of proton transfer in a series of one-dimensional (1D) model potentials and numerically calculate the quantum probability of transferring across single and double barriers (wells). In the case of single barriers, when the incident energies of protons are above the barrier height, the quantum oscillations in the transmission coefficients depend on the geometric shape of the barriers. It is found that atomic resonant tunneling (ART) not only presents in the rectangular single well and rectangular double barriers as expected, but also exists in the other types of potential wells and double barriers. For hetero-structured double barriers, there is no resonant tunneling in the classical forbidden zone, i.e., in the case when the incident energy (E i) is lower than the barrier height (E b). Furthermore, we have provided generalized analysis on the characteristics of transmission coefficients of hetero-structured rectangular double barriers.
The comprehension of the tunnel effect, the passage of matter waves and particles across a high potential barrier, was the most astounding of all discoveries in quantum mechanics. Research on tunnelling in semiconductors and superconductors, as well as the development of scanning tunnelling microscopy, garnered five Nobel prizes in physics. In this study, the resonant tunnelling effect of electron tunnelling through a one-dimensional double-potential barrier was found and verified by solving the time-independent Schrödinger equation and calculating the transmittance rate of the electron tunnelling through the two potential barriers by using the transmission matrix technique performed by MATLAB. According to the analysis, the transmittance rate was one under certain specific conditions (under some specific incident energy values or some specific distance between two potential barriers), which was called as resonant tunnelling. However, in this study, square potential wells were analyzed, which can be considered merely as ideal models in real life, and therefore all results are idealized. For further investigations, researchers can use more realistic parameters to set up potential wells and analyze real-life problems.
At the turn of the twentieth century, the establishment of quantum theory propelled rapid advancements, particularly in the understanding of quantum tunnelling—a fundamental phenomenon in quantum mechanics crucial for various physical processes. The quantum phenomenon of particle passes through potential barriers is of great importance. In classical physics, when the energy of a particle is less than the height of a double barrier structure, it is impossible for it to pass through. However, quantum mechanics allows a particle to penetrate the barrier and emerge on the other side. This paper explores the quantum tunnelling effect, focusing on the single potential barrier model in one dimension and subsequently extending to the double potential barrier model. The Schrödinger equation provides the foundational framework for elucidating the motion of microscopic particles, emphasizing wave-particle duality inherent in quantum mechanics. The analysis of the single potential barrier model involves solving the Schrödinger equation in different regions, determining wave functions and coefficients through boundary conditions. The transmission coefficient is derived, representing the probability of a particle passing through a barrier. In the case of a “thick” barrier, an approximate form for transmission coefficient is provided, demonstrating the exponential decrease in transmission probability with increasing barrier thickness.
The quantum tunneling effect, which is based on the quantum theory that microscopic particles behave in waves through barriers higher than their own energy, has important applications in practical technology. Microscopes such as scanning tunneling microscopes, which use quantum tunneling to generate tunnel currents, have a resolution of up to the desired level. Moreover, it can be used in biology to observe molecular structures such as macromolecules and biofilms. In this paper, the transmission coefficients of one-dimensional asymmetric unilateral barrier and asymmetric two-sided barrier under general arbitrary boundary conditions are strictly derived using the conventional method of solving the steady state Schrodinger equation by quantum mechanics and matrix. Meanwhile, the transmission coefficients of symmetric two-sided barrier are numerically studied. From the above series of methods, it is deduced that the basic working principle of resonant tunneling diode and other semiconductor electronic devices is exactly the tunnel effect. Thus, it is found that quantum tunneling effect plays an important role in life.
A transfer-matrix technique is formulated to treat the scattering of a particle incident on a piecewise constant potential and interacting with an oscillatory field. A study of tunneling through a single barrier shows in the transmission probabilities, for absorption or emission of quanta from the field, replicas below the barrier of the overbarrier field-free transmissivity, with its resonant structure. In the case of resonant tunneling through a double barrier, an appropriate choice of parameters gives evidence for a change in the regime, with inhibition of transmission at a resonance energy of the intermediate well when the period of the field approaches the lifetime of the resonant state. The technique can be extended to treat scattering of a particle by more general potentials in the presence of an oscillatory perturbation. As an illustrative example, the transmissivity as a function of a bias potential in a double-barrier structure is calculated.
The working principle of a large number of modern scientific equipment has been applied to the quantum tunneling effect. Although the explanations for the relevant principles of this effect are clarified, the calculation process is very complex and difficult to understand. Previous studies combine specific applications without theoretical model references. This study adopts the method of using the time-independent Schrodinger equation to solve the wave function, which is more convenient to obtain the expression of transmission probability. Then, one discusses the relationship between transmission probability and potential barrier width, potential barrier spacing, and incident particle energy. The experimental results show that the transmission probability decreases exponentially from 1 to 0 as the potential barrier width gradually increases. As the potential barrier width increases, the transmission probability exhibits a clear periodic oscillation relationship, the oscillation period remains unchanged, and this paper derives the relationship between the oscillation period and the potential barrier width. As the incident energy of particles gradually increases, the transmission probability exhibits periodic changes, and the minimum value of transmission probability increases with the periodic changes. Based on the analysis, the smaller the potential barrier width, the greater the incident energy, and the more likely quantum tunneling occurs.