Atomic-Scale Studies of Ferro Electrics

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This proposal outlined a combined theoretical and experimental program of atomic-scale studies of ferroelectric ceramic materials, such as lead zirconium titanate (PZT) and tin-doped compounds (PSZT). 17O NMR/NQR measurements will determine electric field gradients as a microscopic probe of the local electronic structure. Electronic structure calculations in the framework of Local Density theory will be used to help interpret these measurements. The influence of doping on the ferroelectric to antiferroelectric transition will be investigated. %%%% This proposal combines the theoretical and experiemtnal studies to investigate the effect of doping on ferroelectrics such as PZT and PSZT. Local electronic structure will be carefully studied. Electric field gradients as measured from NMR/NQR measurements will be interpreted with the help of calculations from the Local Desity theory.