Skip to main content

Advertisement

SpringerLink
Log in

First Principles Study of Electronic and Magnetic Properties of DyNiPb and YNiPb Compounds Under Hydrostatic Pressure

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

Abstract

Density functional theory calculations have been performed to study the electronic and magnetic properties of DyNiPb and YNiPb compounds. The total energy calculations indicate that at zero pressure the ferromagnetic and nonmagnetic phases are the most stable phases of the DyNiPb and YNiPb compounds respectively. The Pb atom has a negligible contribution to the magnetic properties of DyNiPb compared to the Dy and Ni atoms. The effect of hydrostatic pressure on the magnetic moment of these compounds is also studied. The calculated results show that the YNiPb compound has zero magnetic moment over the whole pressure range considered (p<20 GPa), while in the DyNiPb compound the total and local magnetic moments at the Dy and Ni atomic sites increase with increasing pressure.

Furthermore, I have investigated the electric field gradient (EFG) at different atomic sites of these compounds. The contribution of different orbitals to the EFG shows that the strongest anisotropy in the charge distribution is due to the electrons in the p orbitals. The variation of EFG at different atomic positions of the DyNiPb and YNiPb compounds with pressure is not linear and increases with pressure.

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

Similar content being viewed by others

References

  1. Gulay, L.D., Stepien-Damm, J., Wolcyrz, M.: J. Alloys Compd. 315, 169–173 (2001)

    Article  Google Scholar 

  2. Arbouche, O., Azzaz, Y., Bendaoud, H., Belgoumene, B., Driz, M., Abid, H.: Physica B 407, 896–900 (2012)

    Article  ADS  Google Scholar 

  3. Gulay, L.D., Hiebl, K.: J. Alloys Compd. 339, 46–53 (2002)

    Article  Google Scholar 

  4. Gulay, L.D.: J. Alloys Compd. 392, 165–172 (2005)

    Article  Google Scholar 

  5. Blaha, P., Schwarz, K., Luitz, J.: WIEN97: Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties. Karlheinz Schwarz, Technische Universität Wien, Vienna (1999). ISBN 3950103104

    Google Scholar 

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

    Article  ADS  Google Scholar 

  7. Al-Douri, Y., Abid, H., Zaoui, A., Aourag, H.: Physica B 301, 295 (2001)

    Article  ADS  Google Scholar 

  8. Al-Douri, Y., Abid, H., Zaoui, A., Aourag, H.: Physica B 322, 179 (2002)

    Article  ADS  Google Scholar 

  9. Al-Douri, Y., Abid, H., Zaoui, A., Aourag, H.: Physica B 305, 186 (2001)

    Article  ADS  Google Scholar 

  10. Wichert, Th., Recknagel, E.: In: Gonser, U. (ed.) Topics in Current Physics, vol. 40. Springer, Berlin (1986)

    Google Scholar 

  11. Klas, T., Voigt, J., Keppner, W., Wesche, R., Schatz, G.: Phys. Rev. Lett. 57, 1068 (1986)

    Article  ADS  Google Scholar 

  12. Blaha, P., Schwarz, K., Dederichs, P.H.: Phys. Rev. B 37, 2792 (1988)

    Article  ADS  Google Scholar 

  13. Blaha, P., Schwarz, K., Herzig, P.: Phys. Rev. Lett. 54, 1192 (1985)

    Article  ADS  Google Scholar 

  14. Divis, M., Schwarz, K., Blaha, P., Hilscher, G., Michor, H., Khmelevskyi, S.: Phys. Rev. B 62, 6774 (2000)

    Article  ADS  Google Scholar 

  15. Nourbakhsh, Z.: Physica B 404, 1271–1278 (2009)

    Article  ADS  Google Scholar 

  16. da Jornada, J.A.H., Zawislak, F.C.: Phys. Rev. B 20, 2617 (1979)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physics Department, Faculty of Science, University of Isfahan, Isfahan, Iran

    Z. Nourbakhsh

Authors
  1. Z. Nourbakhsh
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Z. Nourbakhsh.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Nourbakhsh, Z. First Principles Study of Electronic and Magnetic Properties of DyNiPb and YNiPb Compounds Under Hydrostatic Pressure. J Supercond Nov Magn 26, 1723–1728 (2013). https://doi.org/10.1007/s10948-012-1904-7

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10948-012-1904-7

Keywords

Search

Navigation