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J-GLOBAL ID：200902230355696658   Reference number：09A0698075

Electronic structures of the suboxide films formed on TiC(100) and ZrC(100) surfaces: Density functional theory studies

TiC(100)とZrC(100)表面に形成した亜酸化物膜の電子構造 密度汎関数理論研究

Author (7)： SHIMADA T. (Dep. of Chemistry, Rikkyo Univ., Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, JPN) ,  SHIMADA T. (Res. Center for Measurement in Advanced Sci., Rikkyo Univ., Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, JPN) ,  SHIMADA T. (National Inst. for Materials Sci. (NIMS), Tsukuba, Ibaraki 305-0047, JPN) ,  IMAMURA K. (Res. Center for Measurement in Advanced Sci., Rikkyo Univ., Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, JPN) ,  EDAMOTO K. (Dep. of Chemistry, Rikkyo Univ., Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, JPN) ,  EDAMOTO K. (Res. Center for Measurement in Advanced Sci., Rikkyo Univ., Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, JPN) ,  ORITA H. (National Inst. of Advanced Industrial Sci. and Technol. (AIST), Tsukuba, Ibaraki 305-8568, JPN)
Material： Surface Science  (Surface Science Letters)
Volume： 603  Issue： 15  Page： 2340-2344  Publication year： Aug. 01, 2009 
JST Material Number： C0129B  ISSN： 0039-6028  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Thesaurus term： titanium carbide ,  carbide ,  zirconium compound ,  surface ,  *oxide ,  *thin film ,  *electronic structure ,  density functional method ,  titanium oxide ,  zirconium oxide ,  substrate (plate) ,  periodic structure ,  monolayer ,  Fermi level ,  band structure ,  photoelectron spectrum ,  optimization ,  Oxygen ,  metal ,  atom ,  state density ,  modification

JST classification (3)： Oxide thin films  (BK14050P) ,  Electronic structure of crystalline insulators  (BM02070Y) ,  Bases,metal oxides  (CD01030Z)

Terms in the title (5)： TiC ,  酸化物膜 ,  電子構造 ,  密度汎関数理論 ,  研究