Art

J-GLOBAL ID：200902252093805608   Reference number：08A1003786

Phase stability and elastic properties of XMgB₁₄ studied by ab initio calculations (X=Al, Ge, Si, C, Mg, Sc, Ti, V, Zr, Nb, Ta, Hf)

XMgB₁₄のab initio計算による相安定性と弾性特性(X=Al.Ge,Si,C,Mg,Sc,Ti,V,Zr,Nb,Ta,Hf)

Author (4)： KOELPIN Helmut (RWTH Aachen Univ., Aachen, DEU) ,  MUSIC Denis (RWTH Aachen Univ., Aachen, DEU) ,  HENKELMAN Graeme (Univ. Texas at Austin, Texas, USA) ,  SCHNEIDER Jochen M. (RWTH Aachen Univ., Aachen, DEU)
Material： Physical Review. B. Condensed Matter and Materials Physics  (Physical Review. B. Condensed Matter)
Volume： 78  Issue： 5  Page： 054122.1-054122.6  Publication year： Aug. 2008 
JST Material Number： D0746A  ISSN： 1098-0121  CODEN： PRBMDO  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Thesaurus term： aluminum compound ,  germanium compound ,  silicon compound ,  carbon compound ,  scandium compound ,  titanium compound ,  vanadium compound ,  zirconium compound ,  niobium compound ,  tantalum compound ,  hafnium compound ,  *magnesium compound ,  boride ,  density functional method ,  crystal structure ,  space group ,  valence electron ,  electron density ,  atomic radius ,  stability ,  state density ,  electron transfer ,  effective charge ,  *compressibility (ratio) ,  cohesive energy ,  *phase stability

JST classification (2)： Crystal structure of metal oxides and chalcogenides  (BK07020Y) ,  Mechanical properties of solids in general  (BL01021C)

Terms in the title (12)： 計算 ,  相安定性 ,  弾性特性 ,  Ge ,  Si ,  Mg ,  Sc ,  Ti ,  Zr ,  Nb ,  Ta ,  HF