Skip to main content
SpringerLink
Log in

Study of Electronic Structure, Magnetism, and Half-Metallicity of New Heusler Compounds CsTmO2 (Tm = Fe, Co, Ni, and Cu)

  • Original Paper
  • Published:
Journal of Superconductivity and Novel Magnetism Aims and scope Submit manuscript

Abstract

The density functional calculations were performed using the full-potential linearized augmented plane wave (FPLAPW) method for new Heusler alloys CsTmO2 (Tm = Fe, Co, Ni, and Cu). All compounds were stable in FM AlCu2Mn-type structure. Results revealed that these alloys can be experimentally synthesized according to the calculated cohesive and formation energies. CsTmO2 (Tm = Fe, Co, Ni, and Cu) alloys in AlCu2Mn-type and CuHg2Ti-type structures were half-metallic ferromagnets. The origin of half-metallicity in CsNiO2 alloy was also discussed. The total magnetic moment of CsTmO2 (Tm = Fe, Co, Ni, and Cu) alloys in both structures were 3 μB per formula unit and obeyed the Slater-Pauling rule (Mtot = 22 − Ztot). The relationship between the magnetism and half-metallicity of all compounds and the lattice constants was also studied. The half-metallic character in combined alloys CsTmO2 (Tm = Fe, Co, Ni, and Cu) improved in comparison with Heusler alloys including transition metals which indicated that they may be good candidates for practical applications in spintronics.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5

Similar content being viewed by others

References

  1. de Groot, R.A., Mueller, F.M., van Engen, P.G., Buschow, K.H.J.: Phys. Rev. Lett. 50, 2024 (1983)

    Article  ADS  Google Scholar 

  2. Abada, A., Amara, K., Hiadsi, S., Amrani, B.: J. Magn. Magn. Mater. 388, 59 (2015)

    Article  ADS  Google Scholar 

  3. Gupta, D.C., Bhat, I.H.: Mater. Sci. Eng. B 193, 70 (2015)

    Article  Google Scholar 

  4. Qi, S., Zhang, C.-H., Chen, B., Shen, J., Chen, N.: J. Solid. State. Chem. 225, 8 (2015)

    Article  ADS  Google Scholar 

  5. Ahmadian, F., Alinajimi, R.: Comput. Mater. Sci. 79, 345 (2013)

    Article  Google Scholar 

  6. Lakdja, A., Rozale, H., Chahed, A., Benhelal, O.: J. Alloy. Compd. 564, 8 (2013)

    Article  Google Scholar 

  7. Wu, Y., Wu, B., Wei, Z., Zhou, Z., Zhao, C., Xiong, Y., Tou, S., Yang, S., Zhou, B., Shao, Y.: Intermetallics 53, 26 (2014)

    Article  Google Scholar 

  8. Kervan, N., Kervan, S.: J. Phys. Chem. Solids 72, 1358 (2011)

    Article  ADS  Google Scholar 

  9. Zhu, X., Wang, Y., Wang, L., Dai, Y., Luo, C.: J. Phys. Chem. Solids 75, 391 (2014)

    Article  ADS  Google Scholar 

  10. Rauf, S., Arif, S., Haneef, M., Amin, B.: J. Phys. Chem. Solids 76, 153 (2015)

    Article  ADS  Google Scholar 

  11. Shigeta, I., Murayama, O., Hisamatsu, T., Brinkman, A., Golubov, A.A., Tanaka, Y., Ito, M., Hilgenkamp, H., Hiroi, M.: J. Phys. Chem. Solids 72, 604 (2011)

    Article  ADS  Google Scholar 

  12. Bhat, I.H., Yousuf, S., Bhat, T.M., Gupta, D.C.: J. Magn. Magn. Mater. 395, 81 (2015)

    Article  ADS  Google Scholar 

  13. Yan, P.-L., Zhang, J.-M., Xu, K.-W.: J. Magn. Magn. Mater. 391, 43 (2015)

    Article  ADS  Google Scholar 

  14. Berri, S., Ibrir, M., Maouche, D., Attallah, M.: Comput. Condens. Matter 1, 26 (2014)

    Article  Google Scholar 

  15. Lin, S.-Y., Yang, X.B., Zhao, Y.J.: J. Magn. Magn. Mater. 350, 119 (2014)

    Article  ADS  Google Scholar 

  16. Rozale, H., Khetir, M., Amar, A., Lakdja, A., Sayede, A., Benhelal, O.: Superlattices Microstruct. 74, 146 (2014)

    Article  ADS  Google Scholar 

  17. Zhang, Y.J., Liu, Z.H., Li, G.T., Ma, X.Q., Liu, G.D.: J. Alloy. Compd. 616, 449 (2014)

    Article  Google Scholar 

  18. Matar, S.F., Subramanian, M.A., Weihrich, R.: Chem. Phys. 310, 231 (2005)

    Article  Google Scholar 

  19. Matar, S.F., Etourneau, J.: Int. J. Inorg. Mater. 2, 523 (2000)

    Article  Google Scholar 

  20. Berri, S.: J. Magn. Magn. Mater. 385, 124 (2015)

    Article  ADS  Google Scholar 

  21. Yousif, S.E.A., Yassin, O.A.: J. Alloy. Compd. 506, 456 (2010)

    Article  Google Scholar 

  22. Zhang, Y., Ji, V.: J. Phys. Chem. Solids 73, 1116 (2012)

    Article  ADS  Google Scholar 

  23. Jaiganesh, G., MathiJaya, S.: Comput. Mater. Sci. 102, 85 (2015)

    Article  Google Scholar 

  24. Kervan, S., Kervan, N.: J. Magn. Magn. Mater. 382, 63 (2015)

    Article  ADS  Google Scholar 

  25. Katayama-Yoshida, H., Sato, K.: J. Phys. Chem. Solids 64, 1447 (2003)

    Article  ADS  Google Scholar 

  26. Rostami, M., Moradi, M., Javdani, Z., Salehi, H.: Mater. Sci. Semicond. Process. 38, 218 (2015)

    Article  Google Scholar 

  27. Chen, X.-Q., Podloucky, R., Rogl, P.: J. Appl. Phys. 100, 113901 (2006)

    Article  ADS  Google Scholar 

  28. Özdoğan, K., Galanakis, I., Şasıoğlu, E., Aktaş, B.: Solid State. Commun. 142, 492 (2007)

    Article  ADS  Google Scholar 

  29. Sharma, V., Solanki, A.K., Kashyap, A.: J. Magn. Magn. Mater. 322, 2922 (2010)

    Article  ADS  Google Scholar 

  30. Liu, G.D., Dai, X.F., Liu, H.Y., Chen, J.L., Li, Y.X.: Phys. Rev. B 77, 014424 (2008)

    Article  ADS  Google Scholar 

  31. Kervan, S., Kervan, N.: Intermetallics 24, 56 (2012)

    Article  Google Scholar 

  32. Kervan, S., Kervan, N.: Intermetallics 37, 88 (2013)

    Article  Google Scholar 

  33. Galanakis, I., Özdoğan, K., Şasıoğlu, E., Aktaş, B.: Phys. Rev. B 75, 172405 (2007)

    Article  ADS  Google Scholar 

  34. Li, J., Li, Y.X., Zhou, G.X., Sun, Y.B., Sun, C.Q.: Appl. Phys. Lett. 94, 242502 (2009)

    Article  ADS  Google Scholar 

  35. Xing, N., Gong, Y., Zhang, W., Dong, J., Li, H.: Comput. Mater. Sci. 45, 489 (2009)

    Article  Google Scholar 

  36. Wei, X.-P., Deng, J.-B., Mao, G.-Y., Chu, S.-B., Hu, X.-R.: Intermetallics 29, 86 (2012)

    Article  Google Scholar 

  37. Rozale, H., Amar, A., Lakdja, A., Chahed, A., Benhalel, O.: Comput. Mater. Sci. 69, 229 (2013)

    Article  Google Scholar 

  38. Bagverdi, F., Ahmadian, F.: J. Supercond. Nov. Magn. 28, 2773 (2015)

    Article  Google Scholar 

  39. Erfan, Z., Ahmadian, F.: J. Supercond. Nov. Magn. 28, 3301 (2015)

    Article  Google Scholar 

  40. Rozale, H., Amar, A., Lakdja, A., Moukadem, A., Chahed, A.: J. Magn. Magn. Mater. 336, 83 (2013)

    Article  ADS  Google Scholar 

  41. Dehghanzadeh, M., Ahmadian, F.: Solid State. Commun. 251, 50 (2017)

    Article  ADS  Google Scholar 

  42. Rajabi, K., Ahmadian, F.: Solid State. Commun. 271, 29 (2018)

    Article  ADS  Google Scholar 

  43. Blaha, P., Schwarz, K., Madsen, G.K.H., Hvasnicka, D., Luitz, J.: WIEN2k, an Augmented Plane Wave Local Orbitals Program for Calculating Crystal Properties. Austria, Karlheinz Schwarz, Technische Universit Wien, ISBN 3-9501031-1-2 (2001)

  44. Perdew, J., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  45. Murnaghan, F.D.: Proc. Natl. Acad. Sci. USA 30, 244 (1947)

    Article  ADS  Google Scholar 

  46. Kervan, S., Kervan, N.: Intermetallics 19, 1642 (2011)

    Article  Google Scholar 

  47. Wei, X.-P., Deng, J.-B., Chu, S.-B., Mao, G.-Y., Hu, L.-B., Yang, M.-K., Hu, X.-R.: Comput. Mater. Sci. 50, 1175 (2011)

    Article  Google Scholar 

  48. Bayar, E., Kervan, N., Kervan, S.: J. Magn. Magn. Mater. 323, 2945 (2011)

    Article  ADS  Google Scholar 

  49. Kervan, N., Kervan, S.: J. Magn. Magn. Mater. 324, 645 (2012)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics, Shahreza Branch, Islamic Azad University, Shahreza, Iran

    F. Hajizadeh & F. Ahmadian

Authors
  1. F. Hajizadeh
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. F. Ahmadian
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to F. Ahmadian.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Hajizadeh, F., Ahmadian, F. Study of Electronic Structure, Magnetism, and Half-Metallicity of New Heusler Compounds CsTmO2 (Tm = Fe, Co, Ni, and Cu). J Supercond Nov Magn 31, 3515–3524 (2018). https://doi.org/10.1007/s10948-018-4620-0

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10948-018-4620-0

Keywords

Search

Navigation