Structure and Dynamics: An Atomic View of MaterialsThis book is concerned with a wide range of general principles that govern the behaviour of atoms in solids, and these principles are applied to the full range of types of materials known to man. The dual focus is on the structures of materials at an atomic level and on how the atoms vibrate inside solids. This dual focus comes together to explore how the atomic principles determine the behaviour and properties of materials. Attention is also given to experimental methods. The general principles include the factors that determine the packing of atoms to form the huge variety of structures, the formal description of real and reciprocal space, the types of atomic bonding, the formalism of atomic vibrations, and the theories of phase transitions. The tools covered include diffraction and spectroscopy, both laboratory and large-scale facilities. |
Contents
Summary of chapter | 17 |
40 | 18 |
Structure of materials | 24 |
Further reading | 50 |
parameters | 81 |
Summary of chapter | 89 |
Further reading | 115 |
Diffraction | 117 |
Experimental methods for measurements of vibrational | 216 |
Anharmonic interactions | 236 |
Displacive phase transitions | 247 |
A Real crystals | 274 |
B Fourier analysis | 280 |
Rhombohedral trigonal and hexagonal unit cells | 286 |
F Lattice energy minimization | 292 |
The Wilson plot | 298 |
Physical properties | 156 |
Lattice dynamics | 175 |
Thermodynamics and lattice dynamics | 202 |
K Calculation of physical properties | 304 |
Lattice sums | 310 |
References | 326 |
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Common terms and phrases
2-fold rotation acoustic modes angle anharmonic anions atomic displacements atoms axes beam bonds Brillouin zone calculated cations centre of symmetry Chapter close-packed coefficient components cristobalite crystal structure crystalline cubic defined density described diffraction direction discussed dispersion curves displacive phase transitions electric field electrons equation example ferroelectric force constants Fourier transform fractional coordinates free energy frequency give heat capacity hexagonal high-temperature interactions interatomic ionic ions lattice dynamics lattice parameters layer materials matrix measurements mirror plane molecules NaCl nearest-neighbour neighbouring neutron scattering normal obtained octahedra order parameter orientations packing perovskite phase transition phonon point group positions quantum mechanics radiation reciprocal lattice vector reciprocal space rotation axis rotational symmetry scattering factor shown in Fig silica soft mode space groups structure factor symmetry operations temperature dependence tensor tetragonal tetrahedra thermal expansion thermodynamic types unit cell values vibrations wave function wave vector wavelength X-ray zero