Experimental Visualization of Valence Charge Density Distribution in Ferroelectric materials

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Development of the experimental technique on the visualization of valence charge density distributions has been carried out associated with the phase transitions, dielectric properties and states of chemical bonding in ferroelectric materials. Direct evidence of the electron polarization in PbTiO_3 is demonstrated by analyzing high energy synchrotron radiation diffraction data using the MEM/Rietveld method. The relationship between the bonding electron density and the phase transition temperature is clarified for the BaTiO_3-based ceramics. The crystal structures of several ferroelectric materials with peculiar oxygen coordination are analyzed at electron charge density levels.