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CRC Press eBooks

Introduction

N. N. Bogolubov Jr.

Published May 17, 2000• 0 citations
Publisher

Abstract

Despite the apparent simplicity of the formulation, the polaron problem has not yet been solved, and continues to attract much attention. It plays an important role in statistical mechanics and quantum field theory because it can be considered as the simplest example of a nonrelativistic quantum particle interacting with a quantum field. Therefore many sophisticated mathematical techniques have been tested for the first time using this problem as a model. A shining example of this is Feynman's functional integration method, which was applied first to the polaron problem, before becoming one of the main methods used in statistical mechanics and quantum field theory. Moreover, polaron theory is an expanding field of investigation in solid state physics because polarons are not only theoretical constructs but practically observable physical objects (see e.g. [6]).

DOI
10.1201/9781482296884-6

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Despite the apparent simplicity of the formulation, the polaron problem has not yet been solved, and continues to attract much attention. It plays an important role in statistical mechanics and quantum field theory because it can be considered as the simplest example of a nonrelativistic quantum particle interacting with a quantum field. Therefore many sophisticated mathematical techniques have been tested for the first time using this problem as a model. A shining example of this is Feynman's functional integration method, which was applied first to the polaron problem, before becoming one of the main methods used in statistical mechanics and quantum field theory. Moreover, polaron theory is an expanding field of investigation in solid state physics because polarons are not only theoretical constructs but practically observable physical objects (see e.g. [6]).
Introduction Preliminary remarks The path integral formalism is one of the most important tools in modern theoretical physics. Integration in functional spaces was considered for the first time by Norbert Wiener in his studies of diffusion processes [60, 61]. The corresponding integration measure is now known as the Wiener measure, i.e. the so-called Gaussian path integrals were studied. In quantum mechanics, functional integrals were introduced by R. Feynmann [62, 63] who was inspired by important observations due to P. A. M. Dirac concerning a relation between wave function and classical action [64, 65]. In modern physics the path integral formalism is applied not only to developing a quantum description for systems with infinitely many degrees of freedom as, for example, in quantum field theories or condensed matter physics, but also to ordinary quantum mechanical problems. Moreover there is a tendency to reformulate standard quantum mechanical problems (such as a particle in a “box” or potential well [66, 67], or a particle in the Coulomb field [68]) within the framework of the path integral method. The reason for doing this is rather obvious: physicists develop a new mathematical tool, a new language and, in order to comprehend all of its subtleties, it is necessary to investigate as many concrete examples as possible. Use of the path integral formalism is widespread in quantum field theory because it is the most adequate mathematical tool for a wide range of problems which allows, not only for elegant formulation of problems, but also for a great deal of simplification of their theoretical analysis.
This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction between electrons and phonons in solids, and consists of an electron or a hole accompanied by a distortion of the crystal lattice. Recent advances in experiments, theory, and computation have made it possible to investigate these quasiparticles with unprecedented detail, reigniting the interest in this classic problem of condensed matter physics. Recent theoretical and computational advances include ab initio calculations of polaron spectral functions, wavefunctions, lattice distortions, and transport and optical properties. These developments provide new insight into polaron physics, but they have evolved somewhat independently from the earlier effective Hamiltonian approaches that laid the foundation of the field. This article aims to bridge these complementary perspectives by placing them within a single unified conceptual framework. To this end, we start by reviewing effective Hamiltonians of historical significance in polaron theory, ab initio techniques based on density functional theory, and many-body first-principles approaches to polarons. After this survey, we outline a general field-theoretic framework that bridges between these diverse approaches to polaron physics. For completeness, we also review recent progress in the study of exciton polarons and self-trapped excitons and their relations to polarons. Beyond the methodology, we discuss recent applications to several classes of materials that attracted attention in the context of polaron physics.
The aim of this chapter is to introduce the concept of the Feynman path integral. As well as developing the general construction scheme, particular emphasis is placed on establishing the interconnections between the quantum mechanical path integral, classical Hamiltonian mechanics, and classical statistical mechanics. The practice of path integration is discussed in the context of several pedagogical applications. As well as the canonical examples of a quantum particle in a single and a double potential well, we discuss the generalization of the path integral scheme to tunneling of extended objects (quantum fields), dissipative and thermally assisted quantum tunneling, and the quantum mechanical spin. In this chapter we temporarily leave the arena of many-body physics and second quantization and, at least superficially, return to single-particle quantum mechanics. By establishing the path integral approach for ordinary quantum mechanics, we will set the stage for the introduction of field integral methods for many-body theories explored in the next chapter. We will see that the path integral not only represents a gateway to higher-dimensional functional integral methods but, when viewed from an appropriate perspective, already represents a field theoretical approach in its own right. Exploiting this connection, various concepts of field theory, namely stationary phase analysis, the Euclidean formulation of field theory, instanton techniques, and the role of topology in field theory, are introduced in this chapter. The path integral: general formalism Broadly speaking, there are two approaches to the formulation of quantum mechanics: the “operator approach” based on the canonical quantization of physical observables and the associated operator algebra, and the Feynman path integral.