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Solving the Schrodinger Equation for Infinite Potential Wells

Stephen Janke

Published Jan 1, 2017• 2 citations
OpenAlex

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To model the quantum behavior of current carriers in heterogeneous nanostructures, different potential wells and barriers are widely used. Of particular interest are those (including artificial ones) for which the corresponding Schrödinger equation can be solved exactly. One of them is an infinitely deep potential well with a flat bottom defined as 𝑈(𝑥) = ∞ for |𝑥| ≥ 𝑎 and 𝑈(𝑥) = 0 for |𝑥| < 𝑎. Here, we report on exact solution of the stationary Schrödinger equation in the case, when the potential bottom is non-flat, i.e., 𝑈(𝑥) = −𝑓𝑥 (𝑓 > 0) if |𝑥| < 𝑎. Physically, this means that the particle in the well is subjected to an external force 𝑓 in the 𝑥-direction.

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To model the quantum behavior of current carriers in heterogeneous nanostructures, different potential wells and barriers are widely used. Of particular interest are those (including artificial ones) for which the corresponding Schrödinger equation can be solved exactly. One of them is an infinitely deep potential well with a flat bottom defined as 𝑈(𝑥) = ∞ for |𝑥| ≥ 𝑎 and 𝑈(𝑥) = 0 for |𝑥| < 𝑎. Here, we report on exact solution of the stationary Schrödinger equation in the case, when the potential bottom is non-flat, i.e., 𝑈(𝑥) = −𝑓𝑥 (𝑓 > 0) if |𝑥| < 𝑎. Physically, this means that the particle in the well is subjected to an external force 𝑓 in the 𝑥-direction.
We consider the quantum-mechanical problem of a particle bound to a configuration of spherical potentials, each of finite range. If the Schr\"odinger equation can be solved for each potential by itself, then it is shown how to solve it for the configuration, provided the potentials do not overlap. The energy levels are the zeros of a determinant of formally infinite order, but in practice this is always well approximated by a finite determinant and often by one of small order. As illustrative examples we consider some states of a particle bound to three square wells with the configuration of an equilateral triangle, and to two truncated Coulomb potentials. The possibility of extending an approximate version of the method to overlapping potentials is pointed out.
The Schrödinger equation assumes that a particle behaves as a wave and yields a solution in terms of wave function and the energy of the particle under consideration. Once the wave function is known, then everything about the particle can be deduced from the wave function. This chapter covers the development of the Schrödinger wave equation and its applications to one-dimensional systems. Time-dependent and time-independent Schrödinger equations, bound and scattering states, probability density, probability current and expectation values, the solution of the time-independent 1D-Schrödinger equation for a free particle, infinite as well as finite potential wells, potential steps, and the finite potential barrier are discussed in detail in the chapter. The phenomenon of tunneling, relevance and the importance of the free particle, potential wells and potential barriers to contemporary fields of physics and chemistry, periodic solids and their band structures, the Kronig-Penney model, confined states in quantum wells, and wires and dots are other topics presented in innovative manners in the chapter. The importance of the topics presented here is demonstrated through carefully chosen solved examples and unsolved exercises from contemporary fields of sciences.