Advertisement

Hume–Rothery Stabilization Mechanism of Be-Based Complex Alloys

  • H. SatoEmail author
  • M. Inukai
  • E. S. Zijlstra
  • U. Mizutani
Conference paper

Abstract

We performed first-principles FLAPW (Full potential Linearized Augmented Plane Wave) band calculations for Be13Mg and Be13Sb. Furthermore, we calculated the Hume–Rothery plot and e/a with the tetrahedron method from the case.output1 file generated from WIEN2k. These complex alloys belong to fcc structures with almost the same atom density as hcp Be. From the FLAPW-Fourier spectrum, we could point out that, in both alloys, the pseudogap is formed by Fs–Bz interactions with the spheres just coinciding to reciprocal lattice vectors, |G|=32,35,36 and 40.

Keywords

Hume–Rothery stabilization FLAPW-Fourier analysis Fs–Bz interactions Tetrahedral method 

References

  1. 1.
    Mizutani U (2010) Hume–Rothery rules for structurally complex alloy phases. CRC Press/Taylor & Francis Group, Boca Raton CrossRefGoogle Scholar
  2. 2.
    Sato H, Takeuchi T, Mizutani U (2004) Phys Rev B 70:094207 Google Scholar
  3. 3.
    Asahi R, Sato H, Takeuchi T, Mizutani U (2005) Phys Rev B 71:165103 CrossRefGoogle Scholar
  4. 4.
    Asahi R, Sato H, Takeuchi T, Mizutani U (2005) Phys Rev B 72:125102 CrossRefGoogle Scholar
  5. 5.
    Mizutani U, Asahi R, Sato H, Takeuchi T (2006) Phys Rev B 74:235119 CrossRefGoogle Scholar
  6. 6.
    Mizutani U, Inukai M, Sato H, Zijlstra ES (2012) Philos Mag 92:1691 CrossRefGoogle Scholar
  7. 7.
    Pauling L (1938) Phys Rev 54:899 CrossRefGoogle Scholar
  8. 8.
    Raynor GV (1949) Prog Met Phys 1:1 CrossRefGoogle Scholar
  9. 9.
    Beker TW (1962) Acta Crystallogr 15:175 CrossRefGoogle Scholar
  10. 10.
    Blaha P, Schwarz K, Madsen G, Kvasnicka D, Luitz J. http://www.wien2k.at/
  11. 11.
    Lehman G, Taut M (1972) Phys Status Solidi (b) 54:469 CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media Dordrecht 2013

Authors and Affiliations

  • H. Sato
    • 1
    Email author
  • M. Inukai
    • 2
  • E. S. Zijlstra
    • 3
  • U. Mizutani
    • 4
  1. 1.Aichi University of EducationAichiJapan
  2. 2.Toyota Technological InstituteHisakataNagoyaJapan
  3. 3.Theoretical PhysicsUniversity of KasselKasselGermany
  4. 4.Nagoya Industrial Science Research InstituteNagoyaJapan

Personalised recommendations