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

Author:

Asato Mitsuhiro1,Liu Chang2,Fujima Nobuhisa3,Hoshino Toshiharu4,Mohri Tetsuo5

Affiliation:

1. National Institute of Technology (KOSEN), Niihama College

2. The Institute of Statistical Mathematics, Research Organization of Information and Systems

3. Graduate School of Engineering, Shizuoka University

4. Faculty of Engineering, Shizuoka University

5. Institute for Materials Research, Tohoku University

Publisher

Japan Institute of Metals

Subject

Materials Chemistry,Metals and Alloys,Mechanics of Materials,Condensed Matter Physics

Reference31 articles.

1. 1) S. Hirosawa, T. Sato and A. Kamio: Mater. Sci. Eng. A 242 (1998) 195-201.

2. 2) S. Hirosawa, F. Nakamura, T. Sato and T. Hoshino: J. JILM 56 (2006) 621-628.

3. 3) T. Sato, S. Hirosawa, K. Hirose and T. Maeguchi: Metall. Mater. Trans. A 34 (2003) 2745-2755.

4. 4) T. Hoshino, R. Zeller and P.H. Dederichs: Phys. Rev. B 53 (1996) 8971-8974.

5. 5) T. Hoshino, M. Asato, R. Zeller and P.H. Dederichs: Phys. Rev. B 70 (2004) 094118(1-7). The accuracy and convergence of the n-body (n = 2-6) IEs up to the octahedron are examined for the RSCE of the binding energies of X13 impurity (X = vacancy, Mg, Cu, Zn) clusters.

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