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El. knyga: Electronic Structure of Alloys, Surfaces and Clusters

Edited by , Edited by (Indian Institute of Science, Bangalore, India)

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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.
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


Abhijit Mookerjee, D.D. Sarma