Kiyoyuki Terakura

Interatomic Potential and Structural Stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992 - Springer Series in Solid-State Sciences Kiyoyuki Terakura Softcover reprint of the original 1st ed. 1993 edition

Description for Sales People: Structural stability and phase stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects in this context can be obtained from this book. Emphasis is placed on the description of applications to systems of actual interest. Table of Contents: I New Developments in Methodology.- Parallel Computing and Order-N Methods.- Ab Initio Effective-Medium Theory for Al (With 2 Figures).- Angular-Dependent Many-Atom Bond-Order Potentials (With 4 Figures).- Augmented-Plane-Wave Force Calculations for Transition-Metal Systems.- Structural Optimization with the KKR Method and Its Application to Interstitial Impurities in Mg (With 7 Figures).- II Applications to Defects, Clusters and Surfaces.- Conjugate-Gradient Total-Energy Minimization: Defects in Silicon (With 6 Figures).- Structural Trends in Clusters and Disordered Systems (With 5 Figures).- Order-Disorder Phase Transition on the Si(001) Surface (With 5 Figures).- First-Principles Structural Optimization of the Al/Si Surface (With 5 Figures).- Alkali-Metal Adsorption on the Si(001) Surface (With 7 Figures).- Structural and Vibrational Properties of Alkali Overlayers on Metals (With 4 Figures).- Atomic and Electronic Structure of Some Exotic Surfaces Revealed by Scanning Tunneling Microscopy (With 10 Figures).- III Phase Stability and Kinetics in Alloys and Compounds.- Order and Phase Stability in Alloys (With 4 Figures).- From Electronic Structure to Phase Diagrams (With 6 Figures).- Phase Diagram for Long Period Stacking Variants (With 1 Figure).- Kinetic Study of an Alloy Phase by the Path Probability Method (With 6 Figures).- IV Beyond the Local-Density Approximation.- Correlated Wavefunction Quantum Monte-Carlo Approach to Solids (With 5 Figures).- Quantum Monte-Carlo Calculations on Real Materials (With 2 Figures).- Application of GGA to a Study of Structural and Magnetic Properties of 3d Transition Metals (With 6 Figures).- Metal-Insulator Transition in Ni Compounds (With 7 Figures).- Index of Contributors.