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J-GLOBAL ID：201702281940831405   Reference number：17A0284365

First-principles Study of Defects Structures and Ferroelectric Behavior in BaTiO_3-xN_2x/3

BaTiO_3-xN_2x/3中の欠陥構造と強誘電挙動の第一原理調査

Author (9)： SHITARA Kazuki (Japan Fine Ceramics Center, Nagoya, JPN) ,  SHITARA Kazuki (National Inst. for Materials Sci., Tsukuba, JPN) ,  OGAWA Takafumi (Japan Fine Ceramics Center, Nagoya, JPN) ,  KUWABARA Akihide (Japan Fine Ceramics Center, Nagoya, JPN) ,  KUWABARA Akihide (National Inst. for Materials Sci., Tsukuba, JPN) ,  TAKEIRI Fumitaka (Kyoto Univ., Kyoto, JPN) ,  KAGEYAMA Hiroshi (Kyoto Univ., Kyoto, JPN) ,  MORIWAKE Hiroki (Japan Fine Ceramics Center, Nagoya, JPN) ,  MORIWAKE Hiroki (National Inst. for Materials Sci., Tsukuba, JPN)
Material： AMTC Letters  (International Journal of Advanced Microscopy and Theoretical Calculations)
Volume： 5  Page： 130-131  Publication year： May. 2016 
JST Material Number： L7013A  ISSN： 1882-9465  Document type： Proceedings
Article type： 短報  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *barium compound ,  oxide ,  nitride ,  *structure ,  *ferroelectricity ,  calculation
Semi thesaurus term： *defect structure ,  first principles calculation

JST classification (2)： Properties of ceramics and ceramic whiteware  (YC03030G) ,  Lattice defects in other inorganic compounds  (BK12050B)

Terms in the title (4)： 欠陥構造 ,  挙動 ,  第一原理 ,  調査