Development of novel thermochromic inorganic materials and understanding of mechanistic aspects of thermochromism by structural anaylsis

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Structural design based on the atomic size lead novel structural-typed metal-oxides. Crystal structure analysis based on the synchrotron X-ray and neutron diffraction data revealed their crystal structures and theoretical calculations were carried out by density functional theory to understand their electron density distribution. The obtained novel materials belong to a new perovskite-related structural type which has significantly different structural aspects from the previously known perovskite-related materials.