高分解能透過型電子顕微鏡とコンピューターシミュレーションによる電子材料ペロブスカイトセラミックスの欠陥構造の解析

概要

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Defect chemistry of electronic perovskite ceramics was quite advanced by recent studies using high-resolution transmission electron microscopy(TEM) and computer simulation techniques. Selective site occupation of alkali-earth metal, Ca at Ruddlesden-Popper(RP) faults, causing a break of conduction pathway within a framework of corner-sharing TiO_6 octahedra and improved leakage current properties, were unquestionable clarified in A-site-excess SrTiO_3. Existence of meta-stable RP faults in BaTiO_3 processed under thermodynamically non-equilibrium condition was first empirically and then theoretically proved. Crystallographic shear(CS) structure TiO_2 double layer and BaO double layer were first observed and precisely characterized in perovskite ceramics. The obtained new information about defect structure can trigger new ideas about standing reliability issues and should open a challenge in atomic design, based upon computer structural energy calculation in electronic perovskite materials.
社団法人日本セラミックス協会の論文
2001-09-01