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Influence of magnetism on the structural stability of cubic L21Ni2MnGa

  • M. E. GrunerEmail author
  • W. A. Adeagbo
  • A. T. Zayak
  • A. Hucht
  • S. Buschmann
  • P. Entel
Article

Abstract.

We present calculations of magnetic field-dependent properties of magnetic shape memory (MSM) Heusler alloys by means of density functional theory calculations. The effects of an external magnetic field on structural properties are simulated by fixing the magnetic moments within the framework of the fixed spin moment (FSM) method. We calculate the binding surface as a function of the magnetic moment and the tetragonal distortion. For magnetizations of 10% below the equilibrium value, the energy of the martensitic L10 phase steeply increases leading to a relative stabilization of the L21 phase in a confined magnetization range. Calculations of the phonon dispersion in the direction [ξξ0]2π/a suggest that the instability at ξ≈1/3 disappears with decreasing magnetization, allowing a nearly stable spectrum in a small magnetization interval.

Keywords

Fermi Surface European Physical Journal Special Topic Twin Boundary Phonon Dispersion Heusler Alloy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. K. Ullakko, J.K. Huang, C. Kantner, R.C. O'Handley, V.V. Kokorin, Appl. Phys. Lett. 69, 1966 (1996) Google Scholar
  2. A. Sozinov, A.A. Likhachev, N. Lanska, K. Ullakko, Appl. Phys. Lett. 80, 1746 (2002) Google Scholar
  3. O. Söderberg, Y. Ge, A. Sozinov, S.-P. Hannula, V.V. Lindroos, Smart Mater. Struct. 14, 223 (2005) Google Scholar
  4. R. Kainuma, Y. Imano, W. Ito, Y. Sutou, H. Morito, S. Okamoto, O. Kitakami, K. Oikawa, A. Fujita, T. Kanomata, K. Ishida, Nature 439, 957 (2006) Google Scholar
  5. T. Krenke, E. Duman, M. Acet, E.F. Wassermann, X. Moya, L. Mañosa, A. Planes, Phys. Rev. B 75, 104414 (2007) Google Scholar
  6. J. Enkovaara, A. Ayuela, L. Nordström, R.M. Nieminen, Phys. Rev. B 65, 134422 (2002) Google Scholar
  7. P. Hohenberg, W. Kohn, Phys. Rev. B 136, 864 (1964) Google Scholar
  8. P. Entel, V.D. Buchelnikov, V.V. Khovailo, A.T. Zayak, W.A. Adeagbo, M.E. Gruner, H.C. Herper, E.F. Wassermann, J. Phys. D: Appl. Phys. 39, 865 (2006) Google Scholar
  9. V. Godlevsky, K. Rabe, Phys. Rev. B 63, 134407 (2001) Google Scholar
  10. A. Ayuela, J. Enkovaara, R.M. Nieminen, J. Phys.: Condens. Matter 14, 5325 (2002) Google Scholar
  11. A.T. Zayak, P. Entel, K.M. Rabe, W.A. Adeagbo, M. Acet, Phys. Rev. B 72, 0541113 (2005) Google Scholar
  12. A.T. Zayak, W.A. Adeagbo, P. Entel, K.M. Rabe, Appl. Phys. Lett. 88, 111903 (2006) Google Scholar
  13. Y. Lee, J.Y. Rhee, B.N. Harmon, Phys. Rev. B 66, 054424 (2002) Google Scholar
  14. C. Bungaro, K.M. Rabe, A. Dal Corso, Phys. Rev. B 68, 134104 (2003) Google Scholar
  15. A. Zheludev, S. Shapiro, P. Wochner, A. Schwartz, M. Wall, L.E. Tanner, Phys. Rev. B 51, 11310 (1995) Google Scholar
  16. A. Zheludev, S. Shapiro, P. Wochner, L.E. Tanner, Phys. Rev. B 54, 15045 (1996) Google Scholar
  17. U. Stuhr, P. Vorderwisch, V.V. Kokorin, P.-A. Lindgard, Phys. Rev. B 56, 14360 (1997) Google Scholar
  18. U. Stuhr, P. Vorderwisch, V.V. Kokorin, J. Phys.: Condens. Matter 12, 7541 (2000) Google Scholar
  19. L. Mañosa, A. Planes, J. Zarestky, T. Lograsso, D.L. Schlagel, C. Stassis, Phys. Rev. B 64, 024305 (2001) Google Scholar
  20. V.L. Moruzzi, P.M. Marcus, K. Schwarz, P. Mohn, Phys. Rev. B 34, 1784 (1986) Google Scholar
  21. W.A. Adeagbo, C.J. Eklund, M.E. Gruner, A.T. Zayak, P. Entel, K.M. Rabe (unpublished) Google Scholar
  22. G. Kresse, J. Furthmüller, Phys. Rev. B 54, 11169 (1996) Google Scholar
  23. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999) Google Scholar
  24. J.P. Perdew, K. Burke, M. Ernzerhoff, Phys. Rev. Lett. 77, 3865 (1996) Google Scholar
  25. J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54, 16533 (1996) Google Scholar
  26. K. Parlinski, Z.Q. Li, Y. Kawazoe, Phys. Rev. Lett. 78, 4063 (1997) Google Scholar
  27. A.T. Zayak, P. Entel, J. Enkovaara, A. Ayuela, R.M. Nieminen, J. Phys.: Condens. Matter 15, 159 (2003) Google Scholar
  28. A.T. Zayak, P. Entel, Mater. Sci. Eng. A 378, 419 (2004) Google Scholar
  29. O.I. Velikokhatnyi, I.I. Naumov, Fiz. Tverd. Tela 41, 684 (1999); Phys. Solid State 41, 617 (1999) Google Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2008

Authors and Affiliations

  • M. E. Gruner
    • 1
    Email author
  • W. A. Adeagbo
    • 2
  • A. T. Zayak
    • 3
  • A. Hucht
    • 1
  • S. Buschmann
    • 1
  • P. Entel
    • 1
  1. 1.Physics DepartmentUniversity of Duisburg-EssenDuisburgGermany
  2. 2.Theoretical Chemistry, Ruhr-University BochumBochumGermany
  3. 3.Institute for Computational Engineering and Sciences, University of TexasAustinUSA

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