The new quantum theory was a mathematical description of the way in which an electron behaves when bounded by some kind of potential – such as being in an electric field, acting as a harmonic oscillator or simply being confined to a certain area of space. This mathematical description was then interpreted to be a description of the electron as being probabilistic. It was Schrödinger’s wave equation, together with de Broglie’s concept of a matter wave, that led to various important concepts like the Heisenberg uncertainty principle, an explanation of the emission and absorption of photons in atoms, quantum tunnelling and so on. This chapter explains what Schrödinger did – the marriage of waves and particles.
The new quantum theory was a mathematical description of the way in which an electron behaves when bounded by some kind of potential – such as being in an electric field, acting as a harmonic oscillator or simply being confined to a certain area of space. This mathematical description was then interpreted to be a description of the electron as being probabilistic. It was Schrödinger’s wave equation, together with de Broglie’s concept of a matter wave, that led to various important concepts like the Heisenberg uncertainty principle, an explanation of the emission and absorption of photons in atoms, quantum tunnelling and so on. This chapter explains what Schrödinger did – the marriage of waves and particles.
The new quantum theory was a mathematical description of the way in which an electron behaves when bounded by some kind of potential – such as being in an electric field, acting as a harmonic oscillator or simply being confined to a certain area of space. This mathematical description was then interpreted to be a description of the electron as being probabilistic. It was Schrödinger’s wave equation, together with de Broglie’s concept of a matter wave, that led to various important concepts like the Heisenberg uncertainty principle, an explanation of the emission and absorption of photons in atoms, quantum tunnelling and so on. This chapter explains what Schrödinger did – the marriage of waves and particles.
Abstract In this chapter, the main features of quantum theory are presented. The chapter begins with a historical account of the invention of quantum mechanics. The meaning of position and momentum in quantum mechanics is discussed and non-commuting operators are introduced. The Schrödinger equation is presented and solved for a free particle and for a harmonic oscillator potential in one dimension. The meaning of the wavefunction is considered and the probabilistic interpretation is presented. The mathematical machinery and language of quantum mechanics are developed, including Hermitian operators, observables and expectation values. The uncertainty principle is discussed and the uncertainty relations are presented. Scattering and tunnelling by potential wells and barriers is considered. The use of variational principles to estimate ground state energies is explained and illustrated with a simple example.
Quantum mechanics is a theory to explain and predict the behavior of particles such as electrons, protons, neutrons, atomic nuclei, atoms, and molecules, as well as the photon–the particle associated with electromagnetic radiation or light. From quantum theory we obtain the laws of chemistry as well as explanations for the properties of materials, such as crystals, semiconductors, superconductors, and superfluids. Applications of quantum behavior give us transistors, computer chips, lasers, and masers. The relatively new field of molecular biology, which leads to our better understanding of biological structures and life processes, derives from quantum considerations. Thus, quantum behavior encompasses a large fraction of modern science and technology. Quantum theory was developed during the first half of the twentieth century through the efforts of many scientists. In 1926, E. Schrödinger interjected wave mechanics into the array of ideas, equations, explanations, and theories that were prevalent at the time to explain the growing accumulation of observations of quantum phenomena. His theory introduced the wave function and the differential wave equation that it obeys. Schrödinger's wave mechanics is now the backbone of our current conceptional understanding and our mathematical procedures for the study of quantum phenomena. Our presentation of the basic principles of quantum mechanics is contained in the first three chapters. Chapter 1 begins with a treatment of plane waves and wave packets, which serves as background material for the subsequent discussion of the wave function for a free particle.
Till 1925 the idea of what the quantum theory would be was unknown. During 1925 three different but equivalent versions of quantum theory were proposed – Schrödinger-proposed wave mechanics; Heisenberg-developed matrix mechanics and Dirac-introduced operator theory. Considering the de Broglie’s matter waves Erwin Schrödinger, an Austrian physicist, argued that if a particle like an electron behaves as a wave then the equation of wave motion could be successfully applied to it. He postulated a function varying in both space and time in a wave-like manner (hence called wave function and denoted it as ψ). This function is generally complex and assumed to contain information about a system. Schrödinger set up a linear and time-dependent wave-like equation, called Schrödinger wave equation, to describe the wave aspect of a particle taking account of de Broglie’s relation for wavelength. Physically, |ψ(X, t)|2, where ψ(X, t) is the solution of the Schrödinger equation, is interpreted as position probability density. That is, |ψ(X, t)|2 is the probability density of observing a particle at position X at time t. ψ does not give exact outcomes of observations but helps us to know all possible events and their probabilities . Further, the probability interpretation allows us to find the average or expected result of a set of measurements on a quantum system.
Chapter 4 shows that, just as Heisenberg’s matrix mechanics represented a break with classical physics and the beginning of a new physics, Schrödinger’s wave mechanics represented another, no less radical, break with classical physics and at the same time opened up another path to the quantum world. Schrödinger’s theory is shown to make substantial use of de Broglie’s waves and related phenomena. The Schrödinger equation, being wave-like, constitutes mathematically an eigenvalue problem for bounded systems, and thus naturally leads to quantization, as is illustrated with a couple of simple examples. The chapter ends with Dirac’s abstract formulation, which has the advantage of being suitable for any description, be it Heisenberg’s, Schrödinger’s or any other.
Chapter 3 provides a brief review of a few concepts from classical Newtonian physics, and how this fails to explain phenomena at the nanoscopic scale. As is detailed within, the classical mechanical model is able to describe all observed physical phenomena; however, when it comes to the nanoscale this model breaks down, because the properties of the materials change dramatically. At this scale, the surface-to-volume ratio increases, gravitational forces become negligible and random molecular motion becomes more important. This changes the properties of the material and affects the devices that are fabricated at this scale. It is hence necessary to develop a new model that can explain such physical phenomena. This has led to a new branch of physics, i.e. quantum physics (QP) or quantum mechanics, which is able to explain the behavior observed at nanoscale. QP enables us to explain phenomena such as the photoelectric effect, Compton effect. etc. In this chapter, we introduce quantum mechanics and how it evolved in the late 19th and early 20th centuries. Further, light’s behaviour as a particle as well as a wave is described by the photoelectric effect and Young’s double-slit experiment, respectively. Further, the dual nature of the particle is explained using the de Broglie principle. Schrodinger’s equation is then explained, which gives the probability of finding a subatomic-scale particle at a certain position in a quantum well. In addition to the formulation of Schrodinger’s equation, its solution, the concept of a potential well, the characteristics of the wave function and its interpretation and significance, and, finally, the application of Schrodinger’s equation in the structure of an atom form subsequent parts of this chapter. The equation serves as a basis with which to understand band theory. Band theory explains the difference between conductors, insulators and semiconductors. Materials are distinguished according to the differences in their band gaps. Adding impurities or varying temperature changes the band gap in semiconductors, which consequently changes the properties of the semiconductor and its electrical conduction. One more important measure to understand and exploit the properties and behaviour of materials is Fermi–Dirac statistics. It is useful to acquire the probability of electrons at a given energy level at a specific temperature. These concepts can be utilised by physicists and chip makers to make more energy-efficient devices. Hence, this chapter details the fundamentals of quantum physics and how they relate to the electrical properties of nanodevices.