Electronic Structure of Alloys, Surfaces and Clusters

by Mookerjee; Abhijit

• ISBN13: 9780415272490
• ISBN10: 0415272491
• Format: Hardcover
• Copyright: 2002-11-28
• Publisher: CRC Press

Summary

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 ofwork on the topic.

Table of Contents

List of figures	vii
List of tables	xii
List of contributors	xiv
Preface	xvi
Locality in electronic structure: an introduction to the recursion method	1	(21)
Roger Haydock
Introduction to linear band structure methods	22	(49)
Gour P. Das
Introduction to augmented space methods	71	(35)
Abhijit Mookerjee
Electronic structure of disordered alloys using the KKR method	106	(20)
Rajendra Prasad
Phase stability of binary intermetallics: a first-principles approach	126	(42)
Gour P. Das
Ashok Arya
Srikumar Banerjee
Application of the augmented space recursion to the study of electronic structure and phase stability of disordered alloys	168	(62)
Abhijit Mookerjee
Estimation of electronic interaction strengths from ab initio calculations	230	(31)
D. D. Sarma
N. Shanthi
Tanusri Saha-Dasgupta
Equilibrium and non-equilibrium statistical mechanics of alloys in a face centred cubic lattice	261	(19)
Tanusri Saha-Dasgupta
Alphonse Finel
Growth, electronic and magnetic structure of rough surfaces	280	(28)
Anita Mehta
Biplab Sanyal
Abhijit Mookerjee
Ab initio, orbital free molecular dynamics: technique and applications	308	(40)
Dilip G. Kanhere
Vaishali Shah
An ab initio study of transition metal clusters	348	(18)
Radhika Prosad Datta
Amitava Banerjea
Abhijit Mookerjee
Ashok K. Bhattacharyya
Index	366