High-Pressure Crystallography [electronic resource] : From Fundamental Phenomena to Technological Applications / edited by Elena Boldyreva, Przemyslaw Dera.

to High-Pressure Science -- All Different Flavors of Synchrotron Single Crystal X-Ray Diffraction Experiments -- Synchrotron High-Pressure High-Temperature Techniques -- Mineral Physics of Earth Core: Iron Alloys at Extreme Condition -- Synchrotron-Based Spectroscopic Techniques: Mössbauer and High-Resolution Inelastic Scattering -- High-Pressure X-Ray Absorption Spectroscopy: Application to the Local Aspects of Phase Transitions in Ferroelectric Perovskites -- Present-Day High-Intensity and High-Resolution Neutron Diffraction and Neutron Scattering Under High Pressure -- Large Volume Presses for High-Pressure Studies Using Synchrotron Radiation -- Rheology at High Pressures and High Temperatures -- Radial Diffraction in the Diamond Anvil Cell: Methods and Applications -- Reduction and Analysis of Two-Dimensional Diffraction Data Including Texture Analysis -- Equations of State and Their Applications in Geosciences -- Anisotropic Compression. What can it Teach us About Intermolecular Interactions? -- High-Pressure Structural Evolution of Molecular Crystals -- into the Theory of Phase Transitions -- Phase Transitions in AB Systems. Symmetry Aspects -- The Charm of Subtle H-Bonds Transformations -- Carrier Bandwidth Physical Phenomena in Strongly Correlated Magnetic Oxides: Lessons from Neutron Diffraction at High Pressures -- Jahn–Teller Systems at High Pressure -- Effect of Spin Transitions in Iron on Structure and Properties of Mantle Minerals -- Boron and Boron-Rich Solids at High Pressures -- Non-Molecular Carbon Dioxide at High Pressure -- Simple Metals at High Pressures -- Light Metal Hydrides Under Non-Ambient Conditions: Probing Chemistry by Diffraction? -- Evolutionary Crystal Structure Prediction and Novel High-Pressure Phases -- Ab Initio Quantum Chemistry and Semi-Empirical Description of Solid State Phases Under High Pressure: Chemical Applications -- First-Principles Simulations of Alloy Thermodynamics in Megabar Pressure Range -- First-Principles Molecular Dynamics and Applications in Planetary Science -- Molecular Orbital Approach to Interpret High Pressure Phenomena – Case of Elusive Gold Monofluoride -- High-Pressure Synthesis of Materials -- High-Pressure Synthesis of Novel Superhard Phases in the B–C–N–O System -- Synthesis and Structure–Property Relations of Binary Transition Metal Carbides at Extreme Conditions -- High Pressure and Superconductivity: Intercalated Graphite Cac6 as a Model System -- Structure–Property Relationships in Novel High Pressure Superhard Materials -- Carbon Nanotubes Under High Pressure Probed by Resonance Raman Scattering -- High-Pressure Studies of Energetic Materials -- Amorphous Materials at High Pressure -- Amorphous X-Ray Diffraction at High Pressure: Polyamorphic Silicon and Amyloid Fibrils -- Microporous Materials at High-Pressure: Are they Really Soft? -- Hydrogen Bonding in Minerals at High Pressures -- Nanomaterials at High Pressure: Spectroscopy and Diffraction Techniques -- Analysis of the Total Scattering Using the Quantitative High Pressure Pair Distribution Function: Practical Considerations -- Analysis of the Total Scattering Using the Quantitative High Pressure Pair Distribution Function: Case Studies -- High-Pressure Studies of Pharmaceuticals and Biomimetics. Fundamentals and Applications. A General Introduction -- New Frontiers in Physical form Discovery: High-Pressure Recrystallization of Pharmaceuticals and Other Molecular Compounds -- Pressure-Induced Phase Transitions in Crystalline Amino Acids. Raman Spectroscopy and X-Ray Diffraction -- Exploring the Energy and Conformational Landscape of Biomolecules Under Extreme Conditions -- High-Pressure Crystallography of Biomolecules: Recent Achievements. I – Introduction, Materials and Methods -- High-Pressure Crystallography of Biomolecules: Recent Achievements. II – Applications.

This book is devoted to the theme of crystallographic studies at high pressure, with emphasis on the phenomena characteristic to the compressed state of matter, as well as experimental and theoretical techniques used to study these phenomena. As a thermodynamic parameter, pressure is remarkable in many ways. In the visible universe its value spans over sixty orders of magnitude, from the non-equilibrium pressure of hydrogen in intergalactic space, to the kind of pressure encountered within neutron stars. In the laboratory, it provides the unique possibility to control the structure and properties of materials, to dramatically alter electronic properties, and to break existing, or form new chemical bonds. This agenda naturally encompasses elements of physics (properties, structure and transformations), chemistry (reactions, transport), materials science (new materials) and engineering (mechanical properties); in addition it has direct applications and implications for geology (minerals in deep Earth environments), planetary sciences, biology and medicine.