Advertisement

Journal of Electronic Materials

, Volume 48, Issue 5, pp 3248–3260 | Cite as

A Systematic Study of Structural, Magneto-Electronic and Thermodynamic Properties of Mg1−xCrxSe DMS Alloys in the Rock–Salt Phase for Spintronic Applications

  • Zeyneb BordjibaEmail author
  • Athmane Meddour
  • Chahrazed Bourouis
Article
  • 21 Downloads

Abstract

In this work, we use the full potential linearized augmented plane wave (FP-LAPW + lo) method under the framework of spin polarization density functional theory (SP-DFT) to study the structural properties of diluted magnetic semiconductors alloys, Mg1−xCrxSe (x = 0.25, 0.50 and 0.75), in the rock–salt ferromagnetic phase by using the WC-Cohen GGA approximation. To compute the electronic and magnetic properties of our compounds, we have used the Tran Blaha modified Becke–Johnson potential (TB-mBJ) combined with PBE approximation. The results of electronic properties show that our compounds have a half-metallic behavior with a spin polarization of 100% at the Fermi level. Moreover, at all concentrations, the magnetic moment has been estimated as equal to 4.0 (μB). Furthermore, to validate the effects resulting from the exchange splitting process, we calculate the values of the spin-exchange constants N0α and N0β, respectively. Finally, we present in detail the effects of the temperature and the pressure on some macroscopic thermodynamic parameters by using the quasi-harmonic Debye model.

Keywords

Ab initio calculation electronic structure magnetic properties spintronic TB-mBJ DMS compounds thermodynamic properties 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Notes

Acknowledgments

One of the authors (Zeyneb BORDJIBA) acknowledges useful discussions with Dr. BENTAYEB Kader from Taher Moulay—Saida University (ALGERIA) and Dr. BELGHIT Rafik from Badji Mokhtar—Annaba University (ALGERIA).

References

  1. 1.
    K. Sato, L. Bergqvist, J. Kudrnovský, P.H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V.A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, Rev. Mod. Phys. 82, 1633 (2010).CrossRefGoogle Scholar
  2. 2.
    R.A. de Groot, F.M. Mueller, P.G. van Engen, and K.H.J. Buschow, Phys. Rev. Lett. 50, 2024 (1983).CrossRefGoogle Scholar
  3. 3.
    M. K. Jain, World Scientific. (1991).Google Scholar
  4. 4.
    R.R. Pela and L.K. Teles, J. Magn. Magn. Mater. 321, 984 (2009).CrossRefGoogle Scholar
  5. 5.
    S.J. Pearton, C.R. Abernathy, D.P. Norton, A.F. Hebard, Y.D. Park, L.A. Boatner, and J.D. Budai, Mater. Sci. Eng. R Rep. 40, 137 (2003).CrossRefGoogle Scholar
  6. 6.
    M. El Amine Monir, R. Khenata, G. Murtaza, H. Baltache, A. Bouhemadou, Y. Al-Douri, S. Azam, S. Bin Omran, and H. Ud Din, Indian J. Phys 89, 1251 (2015).Google Scholar
  7. 7.
    M. El Amine Monir, H. Baltache, R. Khenata, G. Murtaza, S. Azam, A. Bouhemadou, Y. Al-Douri, S. Bin Omran, and R. Ali, J. Magn. Magn. Mater 378, 41 (2015).Google Scholar
  8. 8.
    X. Wang, H. Khachai, R. Khenata, H. Yuan, L. Wang, W. Wang, A. Bouhemadou, L. Hao, X. Dai, R. Guo, G. Liu, and Z. Cheng, Sci. Rep. 7, 1 (2017).CrossRefGoogle Scholar
  9. 9.
    A. Bahnes, A. Boukortt, H. Abbassa, D.E. Aimouch, R. Hayn, and A. Zaoui, J. Alloys Compd. 731, 1208 (2018).CrossRefGoogle Scholar
  10. 10.
    C. Bourouis and A. Meddour, J. Magn. Magn. Mater. 324, 1040 (2012).CrossRefGoogle Scholar
  11. 11.
    M.H. Gous, A. Meddour, and C. Bourouis, J. Magn. Magn. Mater. 422, 271 (2017).CrossRefGoogle Scholar
  12. 12.
    H. Yahi and A. Meddour, J. Magn. Magn. Mater. 401, 116 (2016).CrossRefGoogle Scholar
  13. 13.
    B. Doumi, A. Mokaddem, F. Dahmane, A. Sayede, and A. Tadjer, RSC Adv. 5, 92328 (2015).CrossRefGoogle Scholar
  14. 14.
    M. Berber, B. Doumi, A. Mokaddem, Y. Mogulkoc, A. Sayede, and A. Tadjer, J. Electron. Mater. 47, 449 (2018).CrossRefGoogle Scholar
  15. 15.
    M.A. Behbahani, M. Moradi, and M. Rostami, J. Electron. Mater. 47, 2565 (2018).CrossRefGoogle Scholar
  16. 16.
    Z.H. Yin, J.M. Zhang, and K.W. Xu, Mater. Chem. Phys. 183, 201 (2016).CrossRefGoogle Scholar
  17. 17.
    H. Choutri, M.A. Ghebouli, B. Ghebouli, N. Bouarissa, E. Uçgun, and H.Y. Ocak, Mater. Chem. Phys. 148, 1000 (2014).CrossRefGoogle Scholar
  18. 18.
    R. Ali, S. Mohammad, H. Ullah, S.A. Khan, H. Uddin, M. Khan, and N.U. Khan, Phys. B Condens. Matter. 410, 93 (2013).CrossRefGoogle Scholar
  19. 19.
    S. Duman, S. Baǧci, H.M. Tütüncü, and G.P. Srivastava, Phys. Rev. B - Condens. Matter Mater. Phys 73, 1 (2006).Google Scholar
  20. 20.
    D.J. Chadi, Phys. Rev. Lett. 72, 534 (1994).CrossRefGoogle Scholar
  21. 21.
    R. Pandey and A. Sutjianto, Solid State Commun. 91, 269 (1994).CrossRefGoogle Scholar
  22. 22.
    H. Okuyama, K. Nakano, T. Miyajima, and K. Akimoto, J. Cryst. Growth 117, 139 (1992).CrossRefGoogle Scholar
  23. 23.
    M.T. Litz, K. Watanabe, M. Korn, H. Ress, U. Lunz, W. Ossau, and A. Waag, J. Cryst. Growth 159, 54 (1996).CrossRefGoogle Scholar
  24. 24.
    H. Elsayed, D. Olguin, A. Cantarero, and I. Hernandez-Calderon, Phys. Status Solidi Basic Res. 252, 663 (2015).CrossRefGoogle Scholar
  25. 25.
    M. Rashid, S.A. Ahmad, G.S. Abo, M. Imran, F. Hussain, N.A. Noor, and A. Karim, Mater. Sci. Semicond. Process. 33, 110 (2015).CrossRefGoogle Scholar
  26. 26.
    N. A. Noor, S. M. Alay-E-Abbas, M. U. Sohaib, S. M. Ghulam Abbas, and A. Shaukat, J. Magn. Magn. Mater 374, 164 (2015).Google Scholar
  27. 27.
    Q. Mahmood, S.M. Alay-e-Abbas, M. Yaseen, A. Mahmood, M. Rashid, and N.A. Noor, J. Supercond. Nov. Magn. 29, 1387 (2016).CrossRefGoogle Scholar
  28. 28.
    M. Sajjad, H.X. Zhang, N.A. Noor, S.M. Alay-e-Abbas, M. Younas, M. Abid, and A. Shaukat, J. Supercond. Nov. Magn. 27, 2327 (2014).CrossRefGoogle Scholar
  29. 29.
    Z. Bordjiba, A. Meddour, and C. Bourouis, J. Supercond. Nov. Magn. 31, 2261 (2018).CrossRefGoogle Scholar
  30. 30.
    A.L. Ruoff, T. Li, A.C. Ho, M.F. Pai, H. Luo, R.G. Greene, C. Narayana, J.C. Molstad, S.S. Trail, F.J. DiSalvo, and P.E. van Camp, Phys. Rev. Lett. 81, 2723 (1998).CrossRefGoogle Scholar
  31. 31.
    P. Prete, N. Lovergine, L. Tapfer, C. Zanotti-Fregonara, and A.M. Mancini, J. Cryst. Growth 215, 119 (2000).CrossRefGoogle Scholar
  32. 32.
    M.C.C. Wobbe and M.A. Zwijnenburg, Phys. Chem. Chem. Phys. 17, 28892 (2015).CrossRefGoogle Scholar
  33. 33.
    B. Debnath, U. Sarkar, M. Debbarma, R. Bhattacharjee, and S. Chattopadhyaya, J. Solid State Chem. 258, 358 (2018).CrossRefGoogle Scholar
  34. 34.
    I. Khan, A. Afaq, H. A. Rahnamaye Aliabad, and I. Ahmad, Comput. Mater. Sci 61, 278 (2012).Google Scholar
  35. 35.
    P. Hohenberg. And W. Kohn, Phys. Rev 136, B864 (1964).Google Scholar
  36. 36.
    P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K, an Augmented Plane Wave + Local orbitals Program for Calculating Crystal Properties (Wien: Karlheinz Schwarz, Technische Universität, 2001).Google Scholar
  37. 37.
    D.D. Koelling and B.N. Harmon, J. Phys. C: Solid State Phys. 10, 3107 (1977).CrossRefGoogle Scholar
  38. 38.
    W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).CrossRefGoogle Scholar
  39. 39.
    Z. Wu and R.E. Cohen, Phys. Rev. B 73, 235116 (2006).CrossRefGoogle Scholar
  40. 40.
    F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009).CrossRefGoogle Scholar
  41. 41.
    H. Jiang, J. Chem. Phys. 138, 134115 (2013).CrossRefGoogle Scholar
  42. 42.
    R. Iqbal, I. Khan, H.A.R. Aliabad, Z. Ali, and I. Ahmad, J. Magn. Magn. Mater. 351, 60 (2014).CrossRefGoogle Scholar
  43. 43.
    Q. Mahmood, M. Hassan, and M.A. Faridi, Chin. Phys. B 26, 027503 (2017).CrossRefGoogle Scholar
  44. 44.
    Q. Mahmood, M. Hassan, and N.A. Noor, J. Phys.: Condens. Matter. 28, 506001 (2016).Google Scholar
  45. 45.
    J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1996).CrossRefGoogle Scholar
  46. 46.
    M.A. Blanco, E. Francisco, and V. Luaña, Comput. Phys. Commun. 158, 57 (2004).CrossRefGoogle Scholar
  47. 47.
    F. Birch, Phys. Rev. 71, 809 (1947).CrossRefGoogle Scholar
  48. 48.
    G. Gökoǧlu, M. Durandurdu, and O. Gülseren, Mater. Sci. 47, 593 (2009).Google Scholar
  49. 49.
    J. Bai, J.M. Raulot, Y.D. Zhang, C. Esling, X. Zhao, and L. Zuo, J. Appl. Phys. 109, 014908 (2011).CrossRefGoogle Scholar
  50. 50.
    J. Bai, J.M. Raulot, Y.D. Zhang, C. Esling, X. Zhao, and L. Zuo, J. Appl. Phys. 108, 064904 (2010).CrossRefGoogle Scholar
  51. 51.
    S.M. Alay-E-Abbas, K.M. Wong, N.A. Noor, A. Shaukat, and Y. Lei, Solid State Sci. 14, 1525 (2012).CrossRefGoogle Scholar
  52. 52.
    S.M. Hosseini, T. Movlarooy, and A. Kompany, Phys. B 391, 316 (2007).CrossRefGoogle Scholar
  53. 53.
    J. Li, X. Xu, Y. Zhou, M. Zhang, and X. Luo, J. Alloys Compd. 575, 190 (2013).CrossRefGoogle Scholar
  54. 54.
    R. Gaudoin, W.M.C. Foulkes, and G. Rajagopal, J. Phys.: Condens. Matter. 14, 8787 (2002).Google Scholar
  55. 55.
    G.Y. Gao, K.L. Yao, E. Şaşioǧlu, L.M. Sandratskii, Z.L. Liu, and J.L. Jiang, Phys. Rev. B 75, 174442 (2007).CrossRefGoogle Scholar
  56. 56.
    J. J. Attema, L. Chioncel, C. M. Fang, G. A. D. Wijs and R. A. D.Groot, Half-Metals: Challenges in Spintronics and Routes toward Solutions, Springer Berlin Heidelberg, 199 (2005).Google Scholar
  57. 57.
    A. Sadoc, C. De Graaf, and R. Broer, Phys. Rev. B 75, 165116 (2007).CrossRefGoogle Scholar
  58. 58.
    A. Fert, Rev. Mod. Phys. 80, 1517 (2008).CrossRefGoogle Scholar
  59. 59.
    F.G. Aliev, Phys. B 171, 199 (1991).CrossRefGoogle Scholar
  60. 60.
    E. Brück, N.T. Trung, Z.Q. Ou, and K.H.J. Buschow, Scr. Mater. 67, 590 (2012).CrossRefGoogle Scholar
  61. 61.
    J.A. Gaj, R. Planel, and G. Fishman, Solid State Commun. 29, 435 (1979).CrossRefGoogle Scholar
  62. 62.
    S. Sanvito, P. Ordejon, and N.A. Hill, Phys. Rev. B 63, 165206 (2000).CrossRefGoogle Scholar
  63. 63.
    F. Peng, H.Z. Fu, and X.D. Yang, Solid State Commun. 145, 91 (2008).CrossRefGoogle Scholar
  64. 64.
    F. Peng, H.Z. Fu, and X.D. Yang, Phys. B 403, 2851 (2008).CrossRefGoogle Scholar

Copyright information

© The Minerals, Metals & Materials Society 2019

Authors and Affiliations

  • Zeyneb Bordjiba
    • 1
    Email author
  • Athmane Meddour
    • 1
  • Chahrazed Bourouis
    • 1
  1. 1.Laboratoire de Physique des Matériaux (L2PM)Université 8 Mai 1945 GuelmaGuelmaAlgeria

Personalised recommendations