Electronic and Ferromagnetic Properties of 3d(V)-Doped (BaS) Barium Sulfide

  • Zoubida Addadi
  • Bendouma DoumiEmail author
  • Allel MokaddemEmail author
  • Mohammed Elkeurti
  • Adlane Sayede
  • Abdelkader Tadjer
  • Fethallah Dahmane
Original Paper


The objective of this study is to investigate the electronic structure and ferromagnetic properties of barium sulfide (BaS) doped with vanadium (V) impurity. The calculations were performed by using the first-principle calculations of density functional theory. The lattice constant of Ba1−x V x S decreases with increasing concentration (x) of the V atom. We have found that the Ba0.75 V 0.25S and Ba0.5 V 0.5S compounds are half-metallic ferromagnets with total magnetic moments of 3 μ B per V atom, while for high concentration x = 0.75, the Ba0.25 V 0.75S becomes nearly half metallic due to broadening of 3d (V) states in the gap. The exchange coupling between the 3d (V) levels and conduction bands is ferromagnetic, confirming the magnetic nature of Ba1−x V x S compounds.


Exchange coupling p–d exchange splitting Half-metallic ferromagnetism Spintronics 


  1. 1.
    Mahmood, Q., Alay-e-Abbas, S.M., Hassan, M., Noor, N.A.: J. Alloys Compd. 688, 899 (2016)CrossRefGoogle Scholar
  2. 2.
    Durandurdu, M.: Chem. Phys. 367, 80 (2010)ADSCrossRefGoogle Scholar
  3. 3.
    Dadsetani, M., Pourghazi, A.: Phys. Rev. B 73, 195102 (2006)ADSCrossRefGoogle Scholar
  4. 4.
    Cheng, Y., Lu, L.Y., Jia, O.H., Chen, X.R.: Chin. Phys. B 17, 1355 (2008)CrossRefGoogle Scholar
  5. 5.
    Lu, L.Y., Tan, J.J., Jia, O.H., Chen, X.R.: Physica B 399, 66 (2007)ADSCrossRefGoogle Scholar
  6. 6.
    Ruoff, A.L., Grzybowski, T.A.: in Solid State Physics Under Pressure, ed. S. Minomura, Terra Scientific, Tokyo (1985)Google Scholar
  7. 7.
    Yogeswari, M., Kalpana, G.: Comp. Mater. Sci. 54, 219 (2012)CrossRefGoogle Scholar
  8. 8.
    Doumi, B., Mokaddem, A., Dahmane, F., Sayede, A., Tadjer, A.: RSC Adv. 112, 92328 (2015)CrossRefGoogle Scholar
  9. 9.
    Huang, Y., Jie, W., Zhou, Y., Zha, G.: J. Mater. Sci. Technol. 30, 234 (2014)CrossRefGoogle Scholar
  10. 10.
    Doumi, B., Mokaddem, A., Sayede, A., Dahmane, F., Mogulkoc, Y., Tadjer, A.: Superlattice. Microst. 88, 139 (2015)ADSCrossRefGoogle Scholar
  11. 11.
    Jun, L., Xiao-Lan, Y., Wei, K.: Solid State Commun. 242, 11 (2016)ADSCrossRefGoogle Scholar
  12. 12.
    Hohenberg, P., Kohn, W.: Phys. Rev. B 136, 864 (1964)ADSCrossRefGoogle Scholar
  13. 13.
    Kohn, W., Sham, L.J.: Phys. Rev. A 140, 1133 (1965)ADSCrossRefGoogle Scholar
  14. 14.
    Wu, Z., Cohen, R.E.: Phys. Rev. B 73, 235116 (2006)ADSCrossRefGoogle Scholar
  15. 15.
    Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2K, An Augmented Plane Wave plus Local Orbitals Program for Calculating Crystal Properties. Vienna University of Technology, Vienna (2001)Google Scholar
  16. 16.
    Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)ADSMathSciNetCrossRefGoogle Scholar
  17. 17.
    Pack, J.D., Monkhorst, H.J.: Phys. Rev. B 16, 1748 (1977)ADSCrossRefGoogle Scholar
  18. 18.
    Muranghan, F.D.: Proc. Natl. Acad. Sci. U.S.A. 30, 244 (1944)ADSCrossRefGoogle Scholar
  19. 19.
    Durandurdu, M.: Chem. Phys. 367, 82 (2010)ADSCrossRefGoogle Scholar
  20. 20.
    Zhou, X., Roehl, J.L., Lind, C., Khare, S.V.: J. Phys. Condens. Matter 25, 075401 (2013)ADSCrossRefGoogle Scholar
  21. 21.
    Yamaoka, S., Shimomura, O., Nakasawa, H., Fukunaga, O.: Solid State Commun. 33, 87 (1980)ADSCrossRefGoogle Scholar
  22. 22.
    Weir, S.T., Vohra, Y.K., Ruoff, A.L.: Phys. Rev. B 33, 4221 (1986)ADSCrossRefGoogle Scholar
  23. 23.
    Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRefGoogle Scholar
  24. 24.
    Dietl, T., Ohno, H., Matsukura, F., Cibert, J., Ferrand, D.: Science 287, 1019 (2000)ADSCrossRefGoogle Scholar
  25. 25.
    Verma, U.P., Sharma, S., Devi, N., Bisht, P.S., Rajaram, P.: J. Magn. Magn. Mater. 323, 394 (2011)ADSCrossRefGoogle Scholar
  26. 26.
    Morozzi, V.L., Janak, J.F., Williams, A.R.: Calculated Electronic Properties of Metals. Pergamon, New York (1978)Google Scholar
  27. 27.
    Sanvito, S., Ordejon, P., Hill, N.A.: Phys. Rev. B 63, 165206 (2001)ADSCrossRefGoogle Scholar
  28. 28.
    Raebiger, H., Ayuela, A., Nieminen, R.M.: J. Phys. Condens. Matter 16, L457 (2004)ADSCrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.Laboratoire des Etudes Physico-ChimiquesUniversité Dr. Tahar Moulay de SaïdaSaïdaAlgeria
  2. 2.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaïdaSaïdaAlgeria
  3. 3.Theoretical Physics LaboratoryU.S.T.H.B.AlgiersAlgeria
  4. 4.Centre Universitaire Nour Bachir El BayadhEl BayadhAlgeria
  5. 5.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  6. 6.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria
  7. 7.Institut des Sciences et Technologies, Département Sciences de la MatièreCentre Universitaire TissemsiltTissemsiltAlgeria

Personalised recommendations