Electronic Structure of Materials

Rajendra Prasad

July 23, 2013 by CRC Press
Textbook - 469 Pages - 200 B/W Illustrations
ISBN 9781466504684 - CAT# K14536


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  • Explains the quantum description of matter in terms of electrons and nuclei
  • Discusses first-principles methods, including pseudopotential, KKR, and APW
  • Describes many applications of electronic structure, including low-dimensional systems and nanomaterials
  • Requires only basic knowledge of quantum mechanics, statistical mechanics, and condensed matter physics
  • Includes exercises and further reading in each chapter and extensive references at the back of the book

Solutions manual and figure slides available upon qualifying course adoption


Most textbooks in the field are either too advanced for students or don’t adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.

Developed from the author’s lecture notes, this classroom-tested book takes a microscopic view of materials as composed of interacting electrons and nuclei. It explains all the properties of materials in terms of basic quantities of electrons and nuclei, such as electronic charge, mass, and atomic number. Based on quantum mechanics, this first-principles approach does not have any adjustable parameters.

The first half of the text presents the fundamentals and methods of electronic structure. Using numerous examples, the second half illustrates applications of the methods to various materials, including crystalline solids, disordered substitutional alloys, amorphous solids, nanoclusters, nanowires, graphene, topological insulators, battery materials, spintronic materials, and materials under extreme conditions.

Every chapter starts at a basic level and gradually moves to more complex topics, preparing students for more advanced work in the field. End-of-chapter exercises also help students get a sense of numbers and visualize the physical picture associated with the problem. Students are encouraged to practice with the electronic structure calculations via user-friendly software packages.


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