Art

J-GLOBAL ID：202002219685538546   Reference number：20A0509221

Full-Potential KKR Calculations for Interaction Energies in Al-Rich AlX (X = H~Sn) Alloys: I. Fundamental Features and Thermal Electronic Contribution due to Fermi-Dirac Distribution

AlリッチAlX(X=H~Sn)合金における相互作用エネルギーに対する完全ポテンシャルKKR計算 I Fermi-Dirac分布による基本的特徴と熱電子寄与

Author (5)： Asato Mitsuhiro (National Institute of Technology (KOSEN), Niihama College) ,  Liu Chang (The Institute of Statistical Mathematics, Research Organization of Information and Systems) ,  Fujima Nobuhisa (Graduate School of Engineering, Shizuoka University) ,  Hoshino Toshiharu (Faculty of Engineering, Shizuoka University) ,  Mohri Tetsuo (Institute for Materials Research, Tohoku University)
Material： Materials Transactions  (Mater Trans)
Volume： 61  Issue： 1  Page： 94-103(J-STAGE)  Publication year： 2020 
JST Material Number： G0668A  ISSN： 1345-9678  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *aluminum base alloy ,  *energy ,  *potential ,  approximation method ,  calculation ,  impurity ,  internuclear distance ,  Neon ,  Argon ,  Krypton ,  interaction ,  attractive force ,  Green function ,  Aluminum ,  inert gas ,  *interaction energy ,  ab initio calculation ,  KKR method
Semi thesaurus term： ab initio calculation ,  KKR calculation ,  atomic distance

Author keywords (6)： KKR-Green’s function method ,  GGA ,  real space cluster expansion for internal energy ,  n-body IEs in Al-rich AlX (X = H~Sn) alloys ,  thermal electronic contribution due to Fermi-Dirac distribution ,  distance dependence of 2body IEs

JST classification (2)： Crystal structure of metals  (BK06000V) ,  Electronic structure of crystalline metals  (BM02050C)

Reference (32)：

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Terms in the title (6)： Al ,  合金 ,  相互作用エネルギー ,  ポテンシャル ,  KKR計算 ,  分布