Verification of Hume-Rothery electron concentration rule in Cu5 Zn8 and Cu9 Al4 γ brasses by ab initio FLAPW band calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 16, 2005, Pages

  Asahi, R ^a   Sato, H ^b   Takeuchi, T ^c   Mizutani, U ^c  

^a Rd Management Section   (Japan)

^b AICHI UNIVERSITY OF EDUCATION   (Japan)

^c NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 28644440281     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.165103     Document Type: Article

References (28)

1. An Pang Tsai, Physical Properties of Quasicrystals, edited by, Z. Stadnik,, Springer Series in Solid-State Sciences, Vol. 126 (Springer-Verlag, Berlin, 1999).
2. U. Mizutani, T. Takeuchi, and H. Sato, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/27/202 14, R767 (2002).
3. T. Fujiwara, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.942 40, 942 (1989).
4. H. Sato, T. Takeuchi, and U. Mizutani, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.024210 70, 024210 (2004).
5. G. Trambly de Laissardiére and T. Fujiwara, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.5999 50, 5999 (1994).
6. M. Krajcí, M. Windisch, J. Hafner, G. Kresse, and M. Mihalkovic, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.17355 51, 17355 (1995).
7. G. Trambly de Laissardiére, D. Nguyen Manh, L. Magaud, J. P. Julien, F. Cyrot-Lackmann, and D. Mayou, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.7920 52, 7920 (1995).
8. S. Roche and T. Fujiwara, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.11338 58, 11338 (1998).
9. E. Belin-Ferré, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/31/201 14, R789 (2002).
10. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.24.864 24, 864 (1981).
11. M. Weinert, E. Wimmer, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.4571 26, 4571 (1982).
12. H. J. F. Jansen and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.30.561 30, 561 (1984).
13. A. Westgren and G. Phragmen, Philos. Mag. PHMAA4 0031-8086 50, 311 (1925).
14. A. J. Bradley and J. Thewlis, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 112, 678 (1926).
15. W. Hume-Rothery, J. O. Betterton, Jr., and J. Reynolds, J. Inst. Met. JIMEAP 0020-2975 80, 609 (1952).
16. H. Okamoto, Phase Diagrams for Binary Alloys, (ASM International, Metals Park, OH, 2000).
17. N. F. Mott and H. Jones, The Theory of the Properties of Metals and Alloys (Dover, New York, 1958), pp. 168-174.
18. P. Häussler, Collective Dynamics of Nonlinear and Disordered Systems, edited by, G. Radons,,, W. Just,, and, P. Häussler, (Springer, New York, 2004).
19. Pearson's Handbook, edited by, P. Villars, (ASM International, Metals Park, OH, 1997), Vol. 2.
20. L. Hedin and B. I. Lundqvist, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/4/14/022 4, 2064 (1971).
21. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
22. C. Jepsen and O. K. Andersen, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(71)90313-9 9, 1763 (1971).
23. G. Lehmann and M. Taut, Phys. Status Solidi B PSSBBD 0370-1972 54, 469 (1972).
24. U. Mizutani, T. Takeuchi, and H. Sato, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/S0079-6425(03)00035-5 49, 227 (2004);
25. An agreement in the Cu-3d band between (Ref.) and the present work was less satisfactory, since the Madelung potential was accidentally missing in the former. Its incorporation in the LMTO band calculations brought a good agreement with Fig. 2 in the present FLAPW band calculations.
26. W. Hume-Rothery, J. Inst. Met. JIMEAP 0020-2975 9, 42 (1962).
27. J. Hafner, From Hamiltonians to Phase Diagrams (Springer-Verlag, Berlin, 1987).
28. S. Ichimaru and K. Utsumi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.24.7385 24, 7385 (1981).