Art

J-GLOBAL ID：201202295580247277   Reference number：12A0963265

Elastic stability and electronic structure of tantalum boride investigated via first-principles density functional calculations

第一原理密度汎関数計算で調べたホウ化タンタルの弾性安定性および電子構造

Author (6)： CHEN Hai-hua (Lab. for Shock Wave and Detonation Physics Res., Inst. of Fluid Physics, Chinese Acad. of Engineering Physics ...) ,  CHEN Hai-hua (Coll. of Physical Sci. and Technol., Sichuan Univ., Chengdu 610064, CHN) ,  BI Yan (Lab. for Shock Wave and Detonation Physics Res., Inst. of Fluid Physics, Chinese Acad. of Engineering Physics ...) ,  CHENG Yan (Coll. of Physical Sci. and Technol., Sichuan Univ., Chengdu 610064, CHN) ,  JI Guangfu (Lab. for Shock Wave and Detonation Physics Res., Inst. of Fluid Physics, Chinese Acad. of Engineering Physics ...) ,  CAI Lingcang (Lab. for Shock Wave and Detonation Physics Res., Inst. of Fluid Physics, Chinese Acad. of Engineering Physics ...)
Material： Journal of Physics and Chemistry of Solids  (J Phys Chem Solids)
Volume： 73  Issue： 10  Page： 1197-1202  Publication year： Oct. 2012 
JST Material Number： C0202A  ISSN： 0022-3697  Document type： Article
Article type： 原著論文  Country of issue： United Kingdom (GBR)  Language： ENGLISH (EN)

Thesaurus term： *tantalum compound ,  *boride ,  *first principle ,  density functional method ,  pseudopotential method ,  *electronic structure ,  *Elastic Modulus ,  modulus of rigidity ,  *microhardness ,  Debye temperature ,  *thermal expansion coefficient ,  stability ,  approximation method ,  *tantalum boride
Semi thesaurus term： ultrasoft-pseudpotential method ,  generalized gradient approximation ,  LDA

JST classification (3)： Electronic structure of crystalline insulators  (BM02070Y) ,  Mechanical properties of solids in general  (BL01021C) ,  Other thermal properties of non-metals  (BL05040J)

Terms in the title (4)： 第一原理 ,  密度汎関数計算 ,  ホウ化タンタル ,  電子構造