Handbook of Crystal Growth, Volume 1A-1B

Volume IA
Handbook of Crystal Growth, 2nd Edition (Fundamentals: Thermodynamics and Kinetics) Volume IA addresses the present status of crystal growth science, and provides scientific tools for the following volumes: Volume II (Bulk Crystal Growth) and III (Thin Film Growth and Epitaxy). Volume IA highlights thermodynamics and kinetics. After historical introduction of the crystal growth, phase equilibria, defect thermodynamics, stoichiometry, and shape of crystal and structure of melt are described. Then, the most fundamental and basic aspects of crystal growth are presented, along with the theories of nucleation and growth kinetics. In addition, the simulations of crystal growth by Monte Carlo, ab initio-based approach and colloidal assembly are thoroughly investigated.

Volume IB
Handbook of Crystal Growth, 2nd Edition (Fundamentals: Transport and Stability) Volume IB discusses pattern formation, a typical problem in crystal growth. In addition, an introduction to morphological stability is given and the phase-field model is explained with comparison to experiments. The field of nanocrystal growth is rapidly expanding and here the growth from vapor is presented as an example. For the advancement of life science, the crystal growth of protein and other biological molecules is indispensable and biological crystallization in nature gives many hints for their crystal growth. Another subject discussed is pharmaceutical crystal growth. To understand the crystal growth, in situ observation is extremely powerful. The observation techniques are demonstrated.

Volume IA

• Explores phase equilibria, defect thermodynamics of Si, stoichiometry of oxides and atomistic structure of melt and alloys
• Explains basic ideas to understand crystal growth, equilibrium shape of crystal, rough-smooth transition of step and surface, nucleation and growth mechanisms
• Focuses on simulation of crystal growth by classical Monte Carlo, ab-initio based quantum mechanical approach, kinetic Monte Carlo and phase field model. Controlled colloidal assembly is presented as an experimental model for crystal growth.

Volume IIB

• Describes morphological stability theory and phase-field model and comparison to experiments of dendritic growth
• Presents nanocrystal growth in vapor as well as protein crystal growth and biological crystallization
• Interprets mass production of pharmaceutical crystals to be understood as ordinary crystal growth and explains crystallization of chiral molecules
• Demonstrates in situ observation of crystal growth in vapor, solution and melt on the ground and in space
  

Scientists and engineers from diverse (academic/industrial) backgrounds including crystal growers, physicists, chemists, engineers, bioengineers, solid state scientists, materials scientists, earth scientists, etc.

• General Preface
• Preface to Volume I
• List of Contributors
• Part A. Thermodynamics and Kinetics
  • 1. Crystal Growth through the Ages: A Historical Perspective
    • 1.1. Introduction
    • 1.2. Evolution of Crystal Growth Theories
    • 1.3. Crystal Growth Methods
    • 1.4. Epilogue
  • 2. Phase Equilibria
    • 2.1. Introduction
    • 2.2. Equilibria Between Condensed Phases
    • 2.3. Equilibria Including Gas Phase
  • 3. Atomistic Calculation of Defect Thermodynamics in Crystalline Silicon
    • 3.1. Introduction
    • 3.2. Theoretical Infrastructure for Analysis of Point Defect and Cluster Thermodynamics
    • 3.3. Theoretical Estimation of Ground State Point Defect Formation Properties
    • 3.4. Ground State Point Defect Cluster Thermodynamics
    • 3.5. Inherent Structure Theory and Potential Energy Landscapes
    • 3.6. High Temperature Defect Thermodynamics
    • 3.7. Conclusions
  • 4. Stoichiometry of Oxide Crystals
    • 4.1. General Overview of Conventional Stoichiometry and Related Point Defects
    • 4.2. Extended Concept of Stoichiometry in Oxide Crystals
    • 4.3. Growth Characteristics of Stoichiometric Crystals
    • 4.4. Oxide Crystals Having a Stoichiometric Composition Coincident with the Congruent Point
    • 4.5. Summary
  • 5. Equilibrium Shape of Crystals
    • 5.1. Introduction
    • 5.2. From Surface Free Energies to Equilibrium Crystal Shape
    • 5.3. Applications of Formal Results
    • 5.4. Some Physical Implications of Wulff Constructions
    • 5.5. Vicinal Surfaces–Entrée to Rough Regions Near Facets
    • 5.6. Critical Behavior of Rough Regions Near Facets
    • 5.7. Sharp Edges and First-Order Transitions—Examples and Issues
    • 5.8. Gold–Prototype or Anomaly of Attractive Step–Step Interaction?
    • 5.9. Well-Established Attractive Step–Step Interactions Other Than ℓ−2
    • 5.10. Conclusions
  • 6. Rough–Smooth Transition of Step and Surface
    • 6.1. Introduction: Universal Features
    • 6.2. Background
    • 6.3. Rough Surface
    • 6.4. Roughening Transition and Faceting Transition as Critical Phenomena
    • 6.5. Vicinal Surface
    • 6.6. Step Faceting
    • 6.7. Summary
    • Appendix A. Transfer Matrix Method
    • Appendix B. Driving Force for Crystal Growth
    • Appendix C. Example of the Anisotropy of the Entropy of a Step
    • Appendix D. IPW Method
    • Appendix E. Calculation of Surface Width
    • Appendix F. Derivation of the Capillary Wave Hamiltonian
    • Appendix G. Other Microscopic Models
  • 7. Theory of Nucleation
    • 7.1. Introduction
    • 7.2. Classical (Capillary) Nucleation Theory and Nucleation in Vapors
    • 7.3. Nucleation in some other systems, Nucleation of Gas Bubbles from Superheated Liquids and Boiling
    • 7.4. Earlier Corrections of the CNT
    • 7.5. Molecular-Kinetic Approach to Crystal Nucleation
    • 7.6. Equilibrium Shape of Crystals
    • 7.7. Two-Dimensional Crystal Nucleation
    • 7.8. Heterogeneous (Substrate) Nucleation, the Equilibrium Shape of Crystals on Supports, and Energy Barriers for Heterogeneous Nucleation
    • 7.9. Nucleation Theorem
    • 7.10. Probabilistic Features of the Nucleation Process
    • 7.11. Use of Burst Nucleation for Producing Equally-Sized Nanoparticles
    • 7.12. Nucleation of Protein Crystals
    • 7.13. Concluding Remarks
    • 7.14. Perspectives
  • 8. Growth Kinetics: Basics of Crystal Growth Mechanisms
    • 8.1. Introduction: Purpose of This Chapter
    • 8.2. Crystal Growth as a Process of Phase Transition
    • 8.3. Growth from Various Mother Phases
    • 8.4. Normal Growth and Lateral Growth
    • 8.5. Growth of Vicinal Faces
    • 8.6. Crystal Growth in a Diffusion Field
    • 8.7. Various Simulation Models of Crystal Growth
  • 9. Structure of Melt and Liquid Alloys
    • 9.1. Introduction: Structure of the Liquid State
    • 9.2. Scattering: of Neutrons and X-rays
    • 9.3. Case Studies
    • 9.4. X-ray Absorption: EXAFS
    • 9.5. Production of Beams
    • 9.6. Experimental Setups
    • 9.7. Computer Simulations of Liquids
    • 9.8. Characterizations Beyond g(r)
    • 9.9. Supramolecular Liquid Structures
    • 9.10. Quasielastic and Inelastic Scattering
    • 9.11. Conclusions
  • 10. Monte Carlo Simulations of Crystal Growth
    • 10.1. Introduction
    • 10.2. Monte Carlo Model Description
    • 10.3. Deposition on a Spherical Crystal Seed
    • 10.4. Nucleation of Films on Foreign Substrates
    • 10.5. Film Growth
    • 10.6. Texture Development
    • 10.7. Physical Vapor Deposition and Step Coverage
    • 10.8. Size and Habit Evolution of Molecular Crystals
  • 11. Ab initio-Based Approach to Crystal Growth: Chemical Potential Analysis
    • 11.1. Introduction
    • 11.2. Computational Methods
    • 11.3. GaAs
    • 11.4. InAs on GaAs
    • 11.5. GaN
    • 11.6. InGaN on GaN
    • 11.7. Summary
  • 12. Simulation of Epitaxial Growth by Means of Density Functional Theory, Kinetic Monte Carlo, and Phase Field Methods
    • 12.1. Overview on Methods and Goals
    • 12.2. Density Functional Theory Calculations
    • 12.3. Kinetic Monte Carlo Simulations
    • 12.4. Phase Field Methods
  • 13. Controlled Colloidal Assembly: Experimental Modeling of Crystallization
    • 13.1. Introduction
    • 13.2. Colloidal Assembly under Control
    • 13.3. Thermodynamic Driving Force for Crystallization
    • 13.4. Nonclassical Nucleation
    • 13.5. Kinetics of Crystal Growth
    • 13.6. Interfacial Structural Mismatch and Network Formation
    • 13.7. Crystal Defects
    • 13.8. Concluding Remarks
• Part B. Transport and Stability
  • 14. Morphological Stability
    • 14.1. Introduction
    • 14.2. Elementary Considerations
    • 14.3. Linear Stability Analysis
    • 14.4. Extensions of the Mullins-Sekerka Analysis
    • 14.5. Nonlinear Analysis
    • 14.6. Concluding Remarks
  • 15. Phase-Field Models
    • 15.1. Introduction
    • 15.2. Order-Parameter Models: The “Bottom-Up” View
    • 15.3. Diffuse Interfaces at Equilibrium
    • 15.4. Free-Boundary Problems: The “Top-Down” View
    • 15.5. Phase-Field Models for Solidification
    • 15.6. Conclusions and Open Questions
  • 16. Dendritic Growth
    • 16.1. Introduction and Background
    • 16.2. Observations and Simulation of Dendritic Growth
    • 16.3. Dendritic Growth Theories
    • 16.4. Branching
    • 16.5. Summary
  • 17. Grain Growth in the Melt
    • 17.1. Introduction
    • 17.2. Kinetics of Nucleation–Growth
    • 17.3. Growth Rate of Crystal Grains in Melt Growth [11,12]
    • 17.4. Grain Growth during Unidirectional Growth of Polycrystalline Ingot
    • 17.5. Concluding Remarks
  • 18. Growth of Semiconductor Nanocrystals
    • 18.1. Overview
    • 18.2. Selective-Area Epitaxy
    • 18.3. Quantum Dots
    • 18.4. Formation of III-V Nanowires
  • 19. Nucleation and Growth Mechanisms of Protein Crystals
    • 19.1. Introduction
    • 19.2. Proteins and Protein Crystals
    • 19.3. The Thermodynamics of Protein Crystallization
    • 19.4. Methods of Protein Crystallization
    • 19.5. The Role of Nonprotein Solution Components and the Intermolecular Interactions in Solution
    • 19.6. Crystal Nucleation
    • 19.7. Mechanisms of Growth of Crystals
    • 19.8. Concluding Remarks
  • 20. Biological Crystallization
    • 20.1. Introduction
    • 20.2. The Mechanisms of Biological Crystallization
    • 20.3. Crystallization Techniques to Study Biological Crystallization
    • 20.4. The Role (Function) of Biological Crystallization
    • 20.5. Current Trends and the Future of Biological Crystallization
  • 21. Crystallization of Pharmaceutical Crystals
    • 21.1. Introduction
    • 21.2. Crystallization from Solution
    • 21.3. Crystallization Methods
    • 21.4. Development of a Batch Crystallization Process at the Laboratory Scale
    • 21.5. Conclusion
  • 22. Crystallization of Chiral Molecules
    • 22.1. Introduction and Background
    • 22.2. Chiral Crystallization
    • 22.3. Chiral Crystallization from Achiral and Chiral Molecules
  • 23. In Situ Observation of Crystal Growth by Scanning Electron Microscopy
    • 23.1. Introduction
    • 23.2. Method of In Situ Imaging by SEM
    • 23.3. Application of In Situ SEM
    • 23.4. Summary
  • 24. In Situ Observation of Crystal Growth and Flows by Optical Techniques
    • 24.1. Introduction
    • 24.2. Development of Optical Techniques
    • 24.3. Modern Interferometry and Microscopy for In situ Observation of Crystal Growth
    • 24.4. Three-Dimensional Observation of Flow and Concentration Field
    • 24.5. Future Developments
  • 25. Snow and Ice Crystal Growth
    • 25.1. Introduction
    • 25.2. Crystallographic Features of an Ice Crystal
    • 25.3. Surface Structure of an Ice Crystal
    • 25.4. Growth of Snow Crystals
    • 25.5. Free Growth of an Ice Crystal in Supercooled Water
    • 25.6. Directional Growth of Ice Crystals
    • 25.7. Ice Crystal Growth Controlled by Biological Macromolecules
    • 25.8. Summary
  • 26. Crystal Growth of Quasicrystals
    • 26.1. Introduction to Quasicrystals
    • 26.2. Structures of QCs
    • 26.3. Variations of QCs
    • 26.4. Growth Methods
    • 26.5. Selected Results
    • 26.6. Growth Mechanism
    • 26.7. Concluding Remarks
• Index