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

基于原子尺寸的铅新型结构类型金属氧化物的结构设计。根据同步辐射X射线和中子衍射数据进行了晶体结构分析，揭示了它们的晶体结构，并用密度泛函理论对它们的电子密度分布进行了理论计算。所获得的新材料属于一种新的钙钛矿相关结构类型，其结构方面与已知的钙钛矿相关材料有显着不同。

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.