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Report No.
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Total scattering of disordered crystalline functional materials

Shamoto, Shinichi  ; Kodama, Katsuaki   ; Iikubo, Satoshi; Taguchi, Tomitsugu

As one of scientific research targets at total scattering diffractometers at J-PARC, we propose disordered crystalline functional materials. They are optical recording material, thermoelectric material, relaxor ferroelectric material, and so on. In an optical recording material, a metal-like phase should have low thermal conductivity and high electrical resistivity, simultaneously. This contradicting condition challenges material scientists to design the good functional material, which should have at least two types of crystallographic sites. One site limits the thermal conductivity, whereas the other site carries electrons or holes with high mobility. The periodic boundary condition is lost in the disorder parts. Therefore, the atomic pair distribution function (PDF) analysis is suitable to investigate the form and size of the crystalline parts as well as the disordered parts in the materials.

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