Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
Table of Contents
Locality in Electronic Structure- An Introduction to the Recursion Method. Introduction to the Linear Band Structure Methods. Introduction to Augmented Space Methods. Electronic Structure of Disordered Alloys Using the KKR Method. Phase Stability of Binary Intermetallics: A First Principles Approach. Application of the Augmented Space Recursion to the Study of Electronic Structure and Phase Stability of Disordered Alloys. Estimation of Parameters of Many-body Model Hamiltonians from Ab Initio Calculations. Equilibrium and Non-equilibrium Statistical Mechanics of Alloys in a Face Centered Cubic Lattice. Growth, Electronic and Magnetic Structure of Rough Surfaces. Ab Initio Orbital Free Molecular Dynamics: Technique and Applications. Ab Initio Study of Transition Metal Clusters.