This book gives an excellent introduction to the electronic structure of materials for newcomers to the field. Electronic structure plays a fundamental role in determining the properties of materials. In this book, the author takes a microscopic view of materials as composed of interacting electrons and nuclei, aiming at explaining the properties of materials. It will not be outdated for a long time, as it is written from the point of view of the basics.
The book comprises 20 chapters and 447 pages, divided into two parts. The first part (chapters 1–10) is concerned with the fundamentals and methods of electronic structure; the second part (chapters 11–20) deals with the applications of these methods. The exercises and important references are given at the end of chapters. A relatively long list of references is given at the end of the book. The author skillfully fuses these parts into a cohesive whole.
Chapter 1 gives a historical introduction and an overview of the electronic structure field. Chapter 2 explains quantum description of matter in terms of electrons and nuclei. Chapter 3 is devoted to density functional theory, which is the foundation for first-principles calculations. Chapter 4 introduces the basic energy-band theory. The following three chapters explain various methods of electronic structure calculations, such as pseudopotential, the Korringa–Kohn–Rostoker method, and augmented plane wave methods. Chapter 8 illustrates disordered alloys with approximations such as virtual crystal approximation, average t-matrix approximation, and so on. Chapter 9 provides first-principles molecular dynamics, and chapter 10 discusses several general principles associated with materials design.
Chapters 11–20 cover several applications of electronic structure. Chapter 11 discusses amorphous materials and Anderson localization. The next three chapters go into low-dimensional systems, including atomic clusters and nanowires (chapter 12); surfaces, interfaces, and superlattices (chapter 13); and graphene and nanotubes (chapter 14). Chapter 15 discusses quantum Hall effects and topological insulators. In chapters 16–20, the author discusses ferroelectrics and multiferroic materials, high-temperature superconductors, spintronic materials, battery materials, and materials in extreme environments, respectively.
This book provides a concise and comprehensive introduction to electronic structure of materials, from basic theories to research on specific materials. It is neither too advanced nor too simple, so it is very useful as a source of fundamental knowledge for theoretical calculations. As the author states, “it is aimed at the advanced undergraduate and graduate students who want to gain some understanding of electronic structure methods or want to use these tools in their research.” The author has succeeded in doing this.
This book is written in a clear manner, can be well understood, and there are few errors in the text. I can recommend this book without hesitation to all interested in electronic structure of materials, particularly to those entering the field. It is written at a level appropriate to advanced undergraduate and graduate students. Also, it is a good book for researchers with a chemistry, physics, or materials background.
Reviewer: Jianguo Luis an Associate Professor at Zhejiang University, China.
