Crystallography of selected high pressure elemental solids
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John S. Tse
Abstract
Recent advancements in instrumentations using high brilliance X-ray from 3rd generation synchrotrons have greatly improved the quality of powder diffraction data obtained from a diamond anvil cell. In conjunction with new and better structural refinement techniques, as a result many new structures of solids at high pressures have been discovered and characterized. These structures are often novel and sometimes not seen in any solids under ambient conditions. These observations challenge the conventional concept of chemical bonding for solids and provide a fertile ground for the investigation of new physical phenomena in materials under high pressure. In this article, high pressure structures and transformations of selected elemental solids is illustrated and discussed. The purpose is to develop a conceptual model for the description of the structures and the understanding of the nature of chemical bonding.
© by Oldenbourg Wissenschaftsverlag, München
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- The DL_POLY molecular dynamics package
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Articles in the same Issue
- Editorial
- Chemical bonding in crystals: new directions
- First-principle studies of the lattice dynamics of crystals, and related properties
- Electronic structure and magnetic properties of solids
- Simulation of structural phase transitions by metadynamics
- Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods
- First-principle study of materials involved in incommensurate transitions
- Crystallography of selected high pressure elemental solids
- Ab initio theory of planetary materials
- CPMD: Car-Parrinello molecular dynamics
- GULP: Capabilities and prospects
- Program LMTART for electronic structure calculations
- A brief introduction to the ABINIT software package
- The DL_POLY molecular dynamics package
- First principles methods using CASTEP
- CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
- First-principles codes for computational crystallography in the Quantum-ESPRESSO package
- GDIS: a visualization program for molecular and periodic systems
- STM3: a chemistry visualization platform
