Introduction In this chapter we discuss the basic physical concepts and equations related to the behavior of particles in the nanoworld. We introduce the Schrödinger wave equation for particles and determine the ways to calculate observable physical quantities. We find that, in wave mechanics, the motion of a particle confined to a finite volume is always characterized by discrete values of the energy and standing-wave-like wavefunctions, i.e., such a motion is quantized. While motion in an infinite space (i.e., free motion) is not quantized and is described by propagating waves, the energy of the particle is characterized by a continuous range of values. Keeping in mind the diverse variants of nanostructures, by using wave mechanics we analyze some particular examples, which highlight important quantum properties of particles. Many of the examples analyzed can serve as the simplest models of nanostructures and will be exploited in following chapters to understand the fundamentals of processes in nanoelectronics. The Schrödinger wave equation From the previous chapter, we conclude that nanosize physical systems are quantum-mechanical systems, inasmuch as their sizes are comparable to typical de Broglie wavelengths of the particles composing these systems. In dealing with quantum-mechanical systems, one aims at determining the wavefunction of a single particle or of the whole system. As we will demonstrate in the subsequent discussion, knowledge of the wavefunction in quantum mechanics is sufficient to describe completely a particle or even a system of particles.
Introduction In this chapter we discuss the basic physical concepts and equations related to the behavior of particles in the nanoworld. We introduce the Schrödinger wave equation for particles and determine the ways to calculate observable physical quantities. We find that, in wave mechanics, the motion of a particle confined to a finite volume is always characterized by discrete values of the energy and standing-wave-like wavefunctions, i.e., such a motion is quantized. While motion in an infinite space (i.e., free motion) is not quantized and is described by propagating waves, the energy of the particle is characterized by a continuous range of values. Keeping in mind the diverse variants of nanostructures, by using wave mechanics we analyze some particular examples, which highlight important quantum properties of particles. Many of the examples analyzed can serve as the simplest models of nanostructures and will be exploited in following chapters to understand the fundamentals of processes in nanoelectronics. The Schrödinger wave equation From the previous chapter, we conclude that nanosize physical systems are quantum-mechanical systems, inasmuch as their sizes are comparable to typical de Broglie wavelengths of the particles composing these systems. In dealing with quantum-mechanical systems, one aims at determining the wavefunction of a single particle or of the whole system. As we will demonstrate in the subsequent discussion, knowledge of the wavefunction in quantum mechanics is sufficient to describe completely a particle or even a system of particles.
Chapter 2 begins with a discussion of the de Broglie wave concept that is the foundation of quantum mechanics. The idea that particles can exhibit wave-like behavior is an important part of the explanation of why atoms have discrete energy levels and make transitions in which electromagnetic radiation is absorbed or emitted at specific frequencies. Important aspects of how quantum systems may be observed and how they develop in time are presented. The Schrödinger equation is introduced and the importance of the wavefunction covered. Mathematical simplifications that arise from considering symmetry are covered. Several examples of simple quantum systems are presented in which the calculation of electronic energy structure based on boundary conditions is illustrated. Sections on wave–particle duality and quantum observables are followed by others on the dynamics of two-level systems, mathematically complete representations of arbitrary states, and standard approaches for handling the temporal development of wavefunctions.
Introduction The evolution of microelectronics toward reduced device sizes has proceeded to a degree that renders conventional models, approaches, and theories inapplicable. Indeed, for objects with sizes of 100 nanometers or less it is frequently the case that the length scales associated with fundamental physical processes are comparable to the geometrical size of the device; also, fundamental time scales associated with physical processes are of the order of the time parameters for nanodevice operation. Therefore, on the nanoscale the theories and models underlying modern nanoelectronics become more complicated, and rely more and more on basic science. Generally, in the nanoworld the fundamental laws of physics that govern particles and material fields differ from those that apply to familiar macroscopic phenomena such as the motion of a baseball or a train. Instead of classical mechanics, that works so well for macroscopic phenomena, the motion of particles in the nanoworld is determined by the so-called wave mechanics or quantum mechanics. An underlying principle of central importance for nanophysics is the fundamental concept that all matter , including electrons, nuclei, and electromagnetic fields, behaves as both waves and particles , that is, wave–particle duality is a basic characteristic of all matter. At first glance, wave properties and particle properties for the same physical object are hardly compatible. To understand wave–particle duality, we will briefly review, in the following two subsections, the basic properties of particles and waves known from classical physics.
3.4. SummaryIn this Chapter, we have shown the limitations of classical mechanics and the success of quantum mechanics. The basic concepts and formalism of quantum mechanics have been exposed, including the quantized nature of the electromagnetic field, the wave-particle duality, the probability of presence of a particle, the wavefunction, and the Schrödinger equation. Simple quantum mechanical systems have been analyzed to understand these novel concepts, including an infinite and a finite potential well. Through these, some aspects of quantum mechanics have been discussed, including the quantization of energy levels and momenta, and tunneling effects.
In this chapter, the Schrödinger equation is “derived” for particles that can be described by de Broglie waves. The Schrödinger equation is very different from the corresponding equation of motion in classical mechanics. In order to illustrate the fundamental differences between the two theories, one of the simplest problems of particle dynamics is solved in both Newtonian and quantum mechanics. This simple example also helps to show that quantum mechanics is the fundamental theory and classical mechanics is an approximation, a remarkably good approximation, when considering macroscopic objects. The solution of the Schrödinger equation is presented for a particle inside a box and the quantization condition is derived. The amazing possibility of quantum tunneling when a particle is incident on a barrier of height larger than the energy of the incident particle is also discussed. Finally the three-dimensional Schrödinger equation is solved for the hydrogen atom.
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.
Quantum mechanics is introduced here as a fundamental theory that must treat particles equally often as waves. Here, classical waves are introduced in some detail, with discussions of the important concepts of waves: medium, amplitude, frequency, wavelength, period, harmonics, interference, standing waves, etc. Waves can be oscillatory waves with a repeating pattern, or pulse waves, which are localized in space. All of the elements of waves are important in understanding how the Schrödinger equation describes particles. Classical standing waves must have wave lengths that fit between boundaries giving them discrete allowed frequencies, a harbinger of quantized energies in quantum mechanics. Complicated waves can be analyzed in terms of their component frequencies, the fundamental idea of Fourier analysis. This discussion shows that a classical wave has a limit in how accurately one can specify simultaneously the wave’s position and frequency, in analogy with Heisenberg uncertainty principle of quantum mechanics.