Journal of Phase Equilibria

, Volume 15, Issue 3, pp 330–338 | Cite as

Ab initio calculation of thermodynamic data and phase diagram of binary transition metal based alloys

  • C. Colinet
  • A. Pasturel


Ni3Ti Coherent Potential Approximation Cluster Variation Method Cluster Interaction Random Energy 
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Cited References

  1. 44Mur:.
    F.D. Murnaghan,Proc. Natl. Acad. Sci., USA, 30,244 (1944).ADSGoogle Scholar
  2. 51Kik:.
    R. Kikachi,Phys. Rev., 81,988(1951).ADSMathSciNetGoogle Scholar
  3. 54Sla:.
    J.C. Slater and G.F. Koster,Phys. Rev., 94,1498 (1954).ADSGoogle Scholar
  4. 58Kub:.
    O. Kubaschewski,Trans. Faraday Soc, 54,814 (1958).Google Scholar
  5. 65Her:.
    F. Herman and S. Skillman, inAtomic Structure Calculations, Prentice Hall, Englewood Cliffs, NJ (1965).Google Scholar
  6. 71Shi:.
    H. Shiba,Prog.Theor.Phys., 46,77(1971).ADSGoogle Scholar
  7. 72Ger:.
    R.M. German and G.R. Saint Pierre,Metall. Trans., 3, 2819 (1972).Google Scholar
  8. 73Hul:.
    R. Hultgren, P.D. Desai, D.T. Hawkins, M. Gleiser, and K.K. Kelley,Selected Values of the Thermodynamic Properties of Binary Alloys, American Society for Metals, Metals Park, OH (1973).Google Scholar
  9. 74Dan:.
    H.D. Dannöhl and H.L. Lukas,Z Metallkd., 65,642 (1974).Google Scholar
  10. 74Kik:.
    R. Kikuchi and H. Sato,Acto Metall, 22,1099 (1974).Google Scholar
  11. 75Gau:.
    F. Gautier, F. Ducastelle, and J. Giner,Philos. Mag., 31,1372 (1975).ADSGoogle Scholar
  12. 75Hen:.
    E.T. Henig and H.L. Lukas,Z Metallkd., 66,98 (1975).Google Scholar
  13. 75Mie:.
    A.R. Miedema, R. Boom, and FR. de Boer,J. Less-Common Met., 41,283(1975).Google Scholar
  14. 76Duc:.
    F. Ducastelle and F. Gautier,J. Phys. F, 6,2039 (1976).ADSGoogle Scholar
  15. 77Kik:.
    R. Kikuchi and D. de Fontaine,Applications of Phase Diagrams in Metallurgy and Ceramics, G. C. Carter, Ed., NBS Publications, SP. 496,967(1977).Google Scholar
  16. 78Kit:.
    R.C. Kittler and L.M. Falicov,Phys. Rev. B, 18,2506 (1978).ADSGoogle Scholar
  17. 78Mor:.
    V.L. Moruzzi, J.F. Janak, and A.R. Williams, Calculated Elec- tronic Properties of Metals, Pergamon, New York, 2 (1978).Google Scholar
  18. 79Pet:.
    D.G. Pettifor,Phys. Rev. Lett., 42,846 (1979).ADSGoogle Scholar
  19. 80Hac:.
    D. Hackenbracht and J. Kubier,J. Phys. F, Met. Phys., 10,427 (1980).ADSGoogle Scholar
  20. 80Har:.
    W.A. Hanson,Electronic Structure and the Properties of Solids, Freeman, San Francisco (1980).Google Scholar
  21. 81Esi:.
    Yu.O. Esin, M.G. Valishev, A.F. Ermakov, O.V. Gel'd, and M.S. Petrushevsku,Russ. J. Phys. Chem., 55,421 (1981).Google Scholar
  22. 81Gac:.
    J.C. Gachon, M. Notin, and J. Hertz,Thermochim. Acta, 48,155 (1981).Google Scholar
  23. 81Wat:.
    R.E. Watson and L.H. Bennett,Calphad, 5,25 (1981).Google Scholar
  24. 82Rob:.
    M.O. Robbins and L.M. Falicov,Phys. Rev. B, 25,2343 (1982).ADSGoogle Scholar
  25. 83Con:.
    J.W.D. Connolly and A.R. Williams,Phys. Rev. B, 27, 5169 (1983).ADSGoogle Scholar
  26. 84And:.
    O.K. Anderson,NATO ASI on Electronic Structure of Complex Systems, P. Phariseau and W. T. Temmerman, Ed., Plenum, New York, 11(1984).Google Scholar
  27. 84Rob:.
    M.O. Robbins and L.M. Falicov,Phys. Rev. B, 29,1333 (1984).ADSGoogle Scholar
  28. 84Wat:.
    R.E. Watson and L.H. Bennett,Calphad, 8,307 (1984).Google Scholar
  29. 85Col:.
    C. Colinet, A. Pasturel, and P. Hicter,Calphad, 9,71 (1985).Google Scholar
  30. 85Haw:.
    R.J. Hawkins, M.O. Robbins, and J.M. Sanchez,Solid State Commun., 55,253(1985).ADSGoogle Scholar
  31. 85Sig:.
    C. Sigli and J.M. Sanchez,Acta Metall., 33,1097 (1985).Google Scholar
  32. 86Bie:.
    S. Bieber and F. Gautier,Acta Metall., 34,2291 (1986).Google Scholar
  33. 86Bin:.
    K. Binder,Monte Carlo Methods in Statistical Physics, K. Binder, Ed., Springer Series on Topics in Current Physics, Springer, Berlin(1986).zbMATHGoogle Scholar
  34. 86Gom:.
    P.A. Gomozov, Yu.V. Zasypalov, and B.M. Mogutnov,Russ. J. Phys. Chem., 60,1122(1986).Google Scholar
  35. 86Haw:.
    R.J. Hawkins, M.O. Robbins, and J.M. Sanchez,Phys. Rev. B 33,4782(1986).ADSGoogle Scholar
  36. 86May:.
    D. Mayou, D. Nguyen Manh, A. Pasturel, and F. Cyrot-Lack-mann,Phys. Rev. B, 33,3384 (1986).ADSGoogle Scholar
  37. 86Sig:.
    C. Sigli, M. Kosugi, and J.M. Sanchez,Phys. Rev. Lett., 57,253 (1986).ADSGoogle Scholar
  38. 87Bie:.
    A. Bieber and F. Gautier,Acta Metall., 35,1839 (1987).Google Scholar
  39. 87Car:.
    A.E. Carlsson,Phys. Rev. B, 35,4858 (1987).ADSGoogle Scholar
  40. 87Col:.
    C. Colinet and A. Pasturel,Calphad, 11,335(1987).Google Scholar
  41. 87Tur:.
    P. Turchi, M. Sluiter, and D. de Fontaine,Phys. Rev. B 36 3161 (1987).ADSGoogle Scholar
  42. 87Xu:.
    J.H. Xu, T. Oguchi, and A.J. Freeman,Phys. Rev., 36, 4186 (1987).Google Scholar
  43. 88Ans:.
    I. Ansara, B. Sundman, and P. Willemin,Acta Metall., 36, 977 (1988).Google Scholar
  44. 88Boe:.
    F.R. de Boer, R. Boom, W.C.M. Mattens, A.R. Miedema, and A.K. Messen,Cohesion in Metals. Transition Metal Alloys, Vol.1, FR. de Boer and D.G. Pettifor, Ed., North Holland (1988).Google Scholar
  45. 88Car:.
    A.E. Carlsson and J.M. Sanchez,Solid State Commun., 65,527 (1988).ADSGoogle Scholar
  46. 88Haw:.
    R.J. Hawkins and J.M. Sanchez,J. Phys. F,18,767 (1988).ADSGoogle Scholar
  47. 88Lük:.
    R. Lück and I. Arpshofen,Thermochim. Acta, 737,171(1988).Google Scholar
  48. 88Sig:.
    C. Sigli and J.M. Sanchez,Acta Metall., 36,367 (1988).Google Scholar
  49. 88Slu:.
    M. Sluiter, P. Turchi, F. Zezhong, and D. de Fontaine, Phys. Rev. Lett.,60,716(1988).ADSGoogle Scholar
  50. 89Col:.
    C. Colinet, A. Bessoud, and A. Pasturel,J. Phys., Condens. Mat- ter, 7,5837 (1989).ADSGoogle Scholar
  51. 89Slu:.
    M. Sluiter and P.E.A. Turchi,Phys. Rev. B, 40,11215 (1989).ADSGoogle Scholar
  52. 90Kek:.
    S. Kek, C. Rzyman, and F Sommer,Anales de Fisica, B86, 31 (1990).Google Scholar
  53. 90Mur:.
    J.L. Murray,Binary Alloy Phase Diagrams, 2nd ed., T. B. Mas-salski, P. R. Subramanian, H. Okamoto, and L. Kacprzak, Ed., ASM International, Materials Park, OH, 2874 (1990).Google Scholar
  54. 90Sin:.
    M.F. Singleton, J.L. Murray, and P. Nash,Binary Alloy Phase Diagrams, 2nd ed., T.B. Massalski, P. R. Subramanian, H. Okamoto, and L. Kacprzak, Ed., ASM International, Materials Park, OH, 181 (1990).Google Scholar
  55. 91Din:.
    A.T. Dinsdale,Calphad, 75,317(1991).Google Scholar
  56. 91Ind:.
    G. Inden and W. Pitsch,Atomic Ordering in Materials Science and Technology, Vol. 5, R.W. Cahn, P. Haasen, and E.J. Kramer, Ed Weinheim, 97 (1991).Google Scholar
  57. 91Lel:.
    D.H. Le, C. Colinet, P. Hicter, and A. Pasturel,J. Phys., Condens. Matter, 3,7895 (1991).ADSGoogle Scholar
  58. 91Le2:.
    D.H. Le, C. Colinet, P. Hicter, and A. Pasturel,J. Phys., Condens Matter, 3,9965(1991).ADSGoogle Scholar
  59. 91Lu:.
    Z.W. Lu, S.H. Wei, A. Zunger, S. Frota-Pessoa, and L.G. Ferreira,Phys. Rev. 73,44,512(1991).Google Scholar
  60. 91Sau:.
    N. Saunders, private communication (1991).Google Scholar
  61. 91Sch:.
    M. Van Schilfgaarde, A.T. Paxton, A. Pasturel, and M. Methfes-sel, MRS, Vol. 186, G. M. Stocks, A. F. Giamei, and D. P. Pope, Ed, MRS, Pittsburgh, PA, 107 (1991).Google Scholar
  62. 92Col:.
    C. Colinet, P. Hicter, and A. Pasturel,Phys. Rev. B, 45, 1571 (1992).ADSGoogle Scholar
  63. 92Pas:.
    A. Pasturel, C. Colinet, A.T. Paxton, and M. Van Schilfgearde,J. Phys., Condens. Matter, 4,945 (1992).ADSGoogle Scholar
  64. 92San:.
    J.M. Sanchez, “First Principles Calculation of Phase Diagrams,≓Structural and Phase Stability of Alloys, J.L. Moran-Lopez, Cdt, Ple- num Press, New York, 151 (1992).Google Scholar
  65. 92Sch:.
    M. Van Schilfgaarde, A.T. Paxton, and M. Methfessel, unpub- lished work (1992).Google Scholar
  66. 92Slu:.
    M. Sluiter, P.E.A. Turchi, F.J. Pinski, and G.M. Stocks,J. Phase Equilibria, 73,605(1992).Google Scholar
  67. 93Abr:.
    I.A. Abrikosov, A.V. Ruban, D.Ya. Kats, and Y.U. Kekilov,J. Phys, Condens. Matter, 5,1271 (1993).ADSGoogle Scholar
  68. 93Col:.
    C. Colinet and A. Pasturel,Physica B, 192,238 (1993).ADSGoogle Scholar
  69. 93Tur:.
    P.E.A. Turchi, “Electronic Theories of Alloy Phase Stability,≓In- termetallic Compounds: Principles and Practice, J. H. Westbrook and R. L. Fleisher, Ed., John Wiley & Sons, Ltd.,New York, to be publish- ed (1993).Google Scholar
  70. 94Mes:.
    S.V. Meschel and O.J. Kleppa, private communication (1994).Google Scholar
  71. 94Pas:.
    A. Pasturel, private communication (1994).Google Scholar
  72. 94Som:.
    F Sommer, private communication (1994).Google Scholar

Copyright information

© ASM International 1994

Authors and Affiliations

  • C. Colinet
    • 1
  • A. Pasturel
    • 1
  1. 1.Laboratoire de Thermodynamique et Physico-Chimie MétallurgiquesI.N.P.G., ENSEEGCedexFrance

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