Material Waves And Energy Quantization

Gang Chen

Published Mar 3, 2005• 0 citations

Abstract

Abstract For macroscopic systems, we take the continuity of many variables for granted, including the continuity in energy. For example, the heat flux along a rod through conduction, according to the Fourier law, can be continuously varied to any desired value by controlling the temperature difference and the material properties. The microscopic picture of energy, however, is entirely different. According to quantum mechanical principles, the permissible energy levels of matter (electrons, crystals, molecules, and so on) are often discontinuous. Differences in allowable energy levels among materials are major factors that distinguish them from each other. For example, why is glass transparent in the visible light range but not silicon, and why are some materials electrical insulators but others are conductors? In this chapter, we introduce the basic quantum mechanical concepts necessary to appreciate various energy states found in different materials. It should be remembered that these energy states represent the range of possibilities for the matter but do not tell which state the matter will be in. The latter depends on the temperature, a topic we will discuss in chapter 4. Important concepts that should be mastered through this chapter include the wave-particle duality, the Schrodinger equation and the meaning of the wave function, the Pauli exclusion principle, quantum states, and degeneracy. Solutions of the Schr6dinger equation for various simple yet very common potentials will be given. Key concepts and results of this chapter are summarized in the last section of the chapter.

DOI: 10.1093/oso/9780195159424.003.0002

Related papers

Introduction to the quantum theory of solids

Rutu Parekh, Rasika Dhavse

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.

Institute of Physics eBooksDec 1, 20234 citations

Basics of Quantum Mechanics

Normand M. Laurendeau

We found in the previous chapter that the molecular partition function is required to determine the thermodynamic properties of an ideal gas. To evaluate the partition function, specification of pertinent energy levels and degeneracies is necessary. Such knowledge demands that we investigate at least the rudiments of quantum mechanics, and especially those quantum concepts required for subsequent applications to statistical thermodynamics. For this reason, we concentrate in the next few chapters on the Schrödinger wave equation, whose various solutions provide the ε j 's and g j 's needed for the eventual calculation of thermodynamic properties. Depending on your academic background, you might thus consider reviewing classical mechanics (Appendix G) and operator theory (Appendix H) in preparation for your upcoming study of quantum mechanics. We begin this chapter with a historical review of the developments leading to the formulation of quantum mechanics, subsequently focusing on the Bohr model for atomic hydrogen and the de Broglie hypothesis for matter waves. We then introduce the Schrödinger wave equation, the basic postulates of quantum mechanics, and salient insights from these postulates germane to the development of statistical thermodynamics. We next apply the Schrödinger wave equation to the translation energy mode of an atom or molecule. This application conveniently explains both quantum states and quantum numbers, including their relation to our previous notions of microstate and macrostate. We end this chapter by discussing the Heisenberg uncertainty principle, including its utility in defining indistinguishability and symmetry conditions for multiparticle systems.

Cambridge University Press eBooksNov 21, 20052 citations

Quantization and molecular energy levels

John M. Brown

This chapter discusses the physical properties of atoms and molecules, which are quantized. This means that they can only take certain discrete values rather than a full range of continuously varying values. The chapter examines the quantized energy levels of a molecule. These are called stationary states, which describe an energy that is independent of time. The chapter also outlines the procedure for constructing a quantum mechanical Hamiltonian, which includes writing down the complete and classical expression for the energy of the system. The chapter reviews the general approach to the determination of energy levels of a physical system. This involves two stages: First, the appropriate Hamiltonian is defined and, in a second step, the eigenfunctions and eigenvalues of the Hamiltonian are determined. The chapter also discusses the Schrödinger equation, which can only be solved for one-body systems.

Oxford University Press eBooksJul 23, 19980 citations

Quantum Mechanics

David Bensimon

Chapter 4 deals with Quantum Mechanical (QM) phenomena. The first section describes the first attempts at quantization of energy, momentum, angular momentum, etc. We start with Plank's solution to the black-body problem, introducing the concept of photons: discrete packets of electromagnetic energy. We show how Plank's description of black-body radiation is perfectly fit by the cosmic microwave radiation, providing the strongest evidence for the Big-Bang at the origin of the Universe. We then describe Bohr's solution to the paradoxical stability of atoms, introducing quantization of angular momentum (or action) and correctly predicting the energy levels of the hydrogen atom. We show how Einstein used Plank's idea to explain the photo-electric effect (an effect exploited in CCD cameras and solar cells) and how he used Bohr's understanding of energy levels in atoms to provide an intuitive explanation of Plank's law. Einstein insight opened the way to the field of spectroscopy and the development of the laser. In the second section, following the lead of Dirac, we show that QM is equivalent to Linear Algebra in the space of complex functions (which describe the state of the system). We show that Schrödinger's equation is a natural consequence of that description, once the relation between energy and frequency established by Plank (for photons) and de Broglie (for particles) is taken into account. In the context of the chiral ammonia molecule we discuss the queerness of QM which describes physical systems as superposition of states (such as left and right chirality state of a molecule, dead and alive cat). We show that this queerness is nonetheless supported by experiments and is behind much of our technology: masers and lasers, atomic clocks, semiconductors (diodes, transistors, etc.). In the following section we introduce the representation of operators in QM (the equivalent of matrices in linear algebra): momentum, position, energy, etc. which correspond to measurements on the system. We show that the non-commutability of some operators (common with matrix operations) leads to Heisenberg uncertainty principle: the position and momentum of a particle cannot be determined with absolute precision. We discuss the solution of Schrödinger's equation for free particles demonstrating their equivalence with EM phenomena: particles undergo refraction and diffraction, exemplifying the particle/wave duality inherent to QM systems. We discuss QM tunneling and its use in the Scanning Tunneling Microscope. In the following section we study Dirac's equation: the successful attempt by Dirac to unify QM with Einstein's relativity, with the resulting prediction of anti-particles and spin. We then solve for the energy levels of electrons in the hydrogen atom (from Schrödinger's equation) and show that the existence of spin profoundly affects the behavior of electrons in an atom: they cannot share the same energy level, a rule known as Pauli's exclusion principle. Pauli's principle is central to the understanding of the chemical properties of atoms and fully explains Mendeleev's periodic table of the elements. In the next section we discuss along with two exactly soluble systems (diatomic rotational and vibrational levels), various approximations used to study systems (e.g. molecules) for which there are no analytical solutions. In particular, we introduce Pauling's variational approach, Hückel molecular orbital theory and time independent perturbation theory. We apply those approaches to determine the energy levels in alkenes, in multi-electron atoms and in systems under constant electric or magnetic field (such as in Magnetic Resonance Imaging). In the last section we discuss time dependent perturbation theory. We use it to establish the rules allowing for transitions between energy levels and revisit Einstein description of absorption/emission phenomena.

CRC Press eBooksNov 17, 20210 citations

Basic Quantum Mechanics

Stephen Colby Rand

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.

Oxford University Press eBooksJun 9, 20160 citations

Quantum behaviour

Adrian Peter Sutton

The identity and size of atoms is explicable only in quantum physics. The double slit experiment illustrates the wave-particle duality of light and of matter. To describe quantum interference the concept of a complex probability is introduced, the squared amplitude of which is the probability of a particle being at a particular location. The uncertainty relation requires atomic motion in solids even at absolute zero. The symmetry of exchanging indistinguishable particles leads to the classification of particles as fermions or bosons. The exclusion principle applies to electrons and rationalises the Periodic Table and much more. Electrons in solids exist in bands of energy. Band theory explains why some materials are electrical conductors, others are insulators or semiconductors. Chemical bonding involves quantum tunnelling of electrons. Hydrogen may diffuse in solids by quantum tunnelling. The temperature dependence of the specific heat of a solid is explicable only in quantum physics.

Oxford University Press eBooksJul 1, 20210 citations