Fundamental Physics of Ferroelectrics 2002: Washington, DC 3-6 February 2002Ronald E. Cohen This workshop continues an annual series held since 1990 covering the fundamental understanding of ferroelectrics and piezoelectrics using first-principles theory and experiments. Of particular interest this year are the new high strain single crystal piezoelectrics, superlattices, and complex solid solutions. Also this year is growing interest in understanding dynamical properties of relaxors, using theory and experiment, particularly inelastic neutron scattering. |
Contents
First Principles Calculations of Piezoelectricity in Tetragonal | 9 |
BandEdge States and Optical Properties of Ordered PbZro sTio sO3 | 17 |
Local Structure of PZT | 26 |
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agreement appearance Appl applied approach atomic average band BaTiO3 behavior bond calculations cell ceramics charge close Cohen compared composition computed consider constant contribution corresponding coupling cubic decreases density dependence described determined dielectric diffuse dipole direction displacements distortion distribution domain dynamical edited effective elastic electric electronic energy experimental experiments ferroelectric field FIGURE frequency function given increase indicates instability Institute intensity interactions ions lattice layer Lett materials measured method observed obtained parameters peak performed periodicity perovskite phase transition phonon Phys Physics piezoelectric plane polarization positions potential present properties range REFERENCES region relaxation respectively rhombohedral rotation sample scattering shown shows similar simulations single crystal soft mode solid solutions strain structure superlattice surface symmetry Table temperature tensor tetragonal unit volume wall zero