Interatomic Potential and Structural Stability Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992
Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volum...
| Other Authors: | , |
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1993, 1993
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| Edition: | 1st ed. 1993 |
| Series: | Springer Series in Solid-State Sciences
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| Subjects: | |
| Online Access: | |
| Collection: | Springer Book Archives -2004 - Collection details see MPG.ReNa |
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