Half Metallic Ferromagnetic Character in ZnXP2 (X = Ge, Si) Chalcopyrites Doped with Mn

  • B. TaychourEmail author
  • S. Zriouel
  • L. B. Drissi
Original Paper


The electronic and the magnetic properties of ZnXP2 (X = Ge, Si) were studied using the Korring-Kohn-Rostoker (KKR) method combined with the coherent potential approximation (CPA). The total and partial density of state (DOS) are computed for different Mn concentrations. The total magnetic moment, FM and DLM energies, and their variation as well as Curie temperature are also given. It is shown that the substitution of X cations (X = Ge, Si) by Mn atoms in ZnXP2 chalcopyrites leads to half metallic ferromagnetic character with double exchange mechanism. Thus, the critical temperature can be controlled by varying the concentration of manganese impurity.


Ab initio calculations KKR-CPA method ZnGeP2 ZnSiP2 Electronic structure Magnetic properties Chalcopyrite semiconductors Ferromagnetism Double exchange 


  1. 1.
    Medvedkin, G.A., Ishibashi, T., Nishi, T., Hayata, K., Hasegawa, Y., Sato, K.: Jpn. J. Appl. Phys. 39, L949 (2000)ADSCrossRefGoogle Scholar
  2. 2.
    Prinz, G.A.: Science 250, 1092 (1990)ADSCrossRefGoogle Scholar
  3. 3.
    Buehler, E., Wernick, J.H.: J. Crystal Grouth 8, 324 (1971)ADSCrossRefGoogle Scholar
  4. 4.
    Buehler, E., Wernick, J.H., Wiley, J.D.: J. Electron. Mater. 2, 3 (1973)CrossRefGoogle Scholar
  5. 5.
    Endo, T., Sato, Y., Takizawa, H., Shimada, M.: J. Mater Sci. Lett. 11, 567 (1992)CrossRefGoogle Scholar
  6. 6.
    Shen, H.S., Yao, G.Q., Kershaw, R., Dwight, K., Wold, A.: J. Solid State Chem. 71, 176 (1987)ADSCrossRefGoogle Scholar
  7. 7.
    Mughal, S.A., Payne, A.J., Ray, B.: J. Mater Sci. 4, 895 (1969)ADSCrossRefGoogle Scholar
  8. 8.
    Zawilski, K.T., Setzler, S.D., Schunemann, P.G., Pollak, T.M.: Proc. SPIE 5991, 599104–1 (2005)CrossRefGoogle Scholar
  9. 9.
    Verozubova, G.A., Gribenyukov, A.I., Mironov, Y.P.: Inorg. Mater. 43, 1040–1045 (2007)CrossRefGoogle Scholar
  10. 10.
    Gorban, I.S., Gorynya, V.A., Lugovoi, V.I., Krasnolob, N.P., Salivon, G.I., Tychina, I.I.: Phys. Stat. Sol. (b) 93, 531 (1979)ADSCrossRefGoogle Scholar
  11. 11.
    Zapol, P., Pandey, R., Ohmer, M., Gale, J.: J. Appl. Phys. 79, 671–675 (1996)ADSCrossRefGoogle Scholar
  12. 12.
    Shirakata, S.: J. Appl. Phys. 85, 3294 (1999)ADSCrossRefGoogle Scholar
  13. 13.
    Jaffe, J.E., Zunger, A.: Phys. Rev. B 30, 741 (1984)ADSCrossRefGoogle Scholar
  14. 14.
    Gehlhoff, W., Azamat, D., Vevodin, V.G., Hoffmann, A.: Phys. Stat. Sol. (b) 242, R14–R16 (2005)ADSCrossRefGoogle Scholar
  15. 15.
    Choi, S., Cha, G.B., Hong, S.C., Cho, S., Kim, Y., Ketterson, J.B., Jeong, S.Y., Yi, G.C.: Solid State Commun. 122, 165 (2002)ADSCrossRefGoogle Scholar
  16. 16.
    Cho, S., Choi, S., Cha, G.B., Hong, S.C., Kim, Y., Zhao, Y.J., Freeman, A.J., Ketterson, J.B., Kim, B.J., Kim, Y.C., Choi, B.C.: Phys. Rev. Lett. 88, 257203 (2002)ADSCrossRefGoogle Scholar
  17. 17.
    Kamatani, T., Akai, H.: J. Supercond. 16, 95–97 (2003)ADSCrossRefGoogle Scholar
  18. 18.
    Medvedkin, G.A., Voevodin, V.G.: J. Opt. Soc. Am. B 22, 9 (2005)CrossRefGoogle Scholar
  19. 19.
    Krivosheeva, A.V., Shaposhnikov, V.L., Lyskouski, V.V., Borisenko, V.E., Arnaud d’Avitaya, F., Lazzari, J.-L.: Microelectron. Reliab. 46, 1747–1749 (2006)CrossRefGoogle Scholar
  20. 20.
    Leuken, H.V., Groot, R.A.: Phys. Rev. Lett 74, 1171–1173 (1995)ADSCrossRefGoogle Scholar
  21. 21.
    Pickett, W.E.: Phys. Rev. Lett. 77, 3185–3188 (1996)ADSCrossRefGoogle Scholar
  22. 22.
    Long, N.H., Ogura, M., Akai, H.: J. Phys. Condens. Matter 21, 064241–064246 (2009)ADSCrossRefGoogle Scholar
  23. 23.
    Bergqvist, L., Dederichs, P.H.: J. Phys.: Condens. Matter 19, 216220–216233 (2007)ADSGoogle Scholar
  24. 24.
    Akai, H., Ogura, M.: Phys. Rev. Lett. 97, 026401–026404 (2006)ADSCrossRefGoogle Scholar
  25. 25.
    Durham, P.J., Gyorffy, B.L., Pindor, A.J.: J. Phys. F. Met. Phys 10, 661 (1980)ADSCrossRefGoogle Scholar
  26. 26.
    Bansil, A., Kaprzyk, S., Mijnarends, P.E., Tobola, J.: Phys. Rev. B 60, 13396 (1999)ADSCrossRefGoogle Scholar
  27. 27.
    Akai, H.: J. Phys. Condens Matter 1, 8045 (1989)ADSCrossRefGoogle Scholar
  28. 28.
    Akai, H.: MACHIKANEYAMA2002V08, Department of Physics, Graduate School of Science, Osaka University, JapanGoogle Scholar
  29. 29.
    Moruzzi, V.L., Janack, J.F., Williams, A.R.: Calculated Properties of Metals. Pergamon Press, New York (1978)Google Scholar
  30. 30.
    Tripathy, S.K., Kumar, V.: Mater. Sci. Eng. B 182, 52–58 (2014)CrossRefGoogle Scholar
  31. 31.
    Kumar, V., Tripathy, S.K., Jha, V.: Appl. Phys. Lett., 101 (2012)Google Scholar
  32. 32.
    Shay, J.L., Wernick, J.H.: Ternary Chalcopyrite Semiconductors: Growth Electronic Properties and Applications. Pergamon Press, New York (1975)Google Scholar
  33. 33.
    Shay, J.L., Tell, B., Buehler, E., Wernick, J.H.: Phys. Rev. Lett., 30 (1973)Google Scholar
  34. 34.
    Perdew, J.P., Parr, R.G., Levy, M., Balduz, J.L.: Phys. Rev. Lett. 49, 1691 (1982)ADSCrossRefGoogle Scholar
  35. 35.
    Sham, L.J., Scluter, M.: Phys. Rev. Lett. 51, 1888 (1983)ADSCrossRefGoogle Scholar
  36. 36.
    Sato, K., Katayama-Yoshida, H.: J. Non Cryst. Solids 358, 2377 (2012)ADSCrossRefGoogle Scholar
  37. 37.
    Sato, K., Dederics, P.H., Katayama-Yoshida, H.: Europhys. Lett. 61, 403 (2003)ADSCrossRefGoogle Scholar

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Authors and Affiliations

  1. 1.LPHE-Modeling and Simulations, Faculty Of SciencesMohammed V University in RabatRabatMorocco
  2. 2.Department of Physics, Polydisciplinary FacultySultan Moulay Slimane University in Beni MellalBeni MellalMorocco
  3. 3.Center of Physics and MathematicsCPMRabatMorocco

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