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: http://lib.mexmat.ru/books/52176
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Дата индексирования: Mon Apr 11 01:58:48 2016
Кодировка: Windows-1251
Электронная библиотека Попечительского совета механико-математического факультета Московского государственного университета
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Название: Electronic Structure of Materials
Автор: Sutton A.D.
Аннотация:
In recent years, researchers have increasingly recognized the dominant role of the local atomic environment in controlling the electronic structure and properties of materials. This recognition has spawned the "real-space" approach that provides a coherent framework for the study of perfect and defective crystals and non-crystalline materials. In addition to presenting these ideas, this text details the reciprocal-space approach - exemplified in band theory - and draws powerful links between the two approaches. The book includes illustrations and examples of many up-to-date calculations based on density functional theory that are used today as predictive tools in materials science. Throughout the book, the mathematical complexity is kept to a minimum, while comprehensive problem sets allow readers to master the fundamental concepts. The text provides for students in materials science, physics, and chemistry a unique introduction to predictive modelling of the electronic structure and properties in today's materials.