Skip to main content
SpringerLink
Log in

First-Principles Studies on Magnetic Stability of SrC and BaC in Rocksalt, Zincblende, and Nickel Arsenide Phases Under Pressure

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

Abstract

Using the first-principles method based on the density functional theory, we investigated the magnetic stability of sp half-metal ferromagnets SrC and BaC in rocksalt (RS), zincblende (ZB), and nickel arsenide (NA) structures under external pressure. The magnetic moments, total energy of magnetic and nonmagnetic phases, and lattice constants are calculated as a function of the applied pressure. The calculations show the occurrence of pressure-induced magnetic phase transitions which are mainly resulted from the band widening of anion p states. It is also confirmed that for both SrC and BaC, the rocksalt structure is the most stable phase among the three phases.

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
Fig. 6

Similar content being viewed by others

References

  1. Ilkhani, M., Abolhassani, M.R., Aslaninejad, M.: Phys. Rev. B 80, 125131 (2009)

    Article  ADS  Google Scholar 

  2. Pandit, P., Srivastava, V., Rajagopalan, M., Sanyal, S.P.: Physica B 403, 4333–4337 (2008)

    Article  ADS  Google Scholar 

  3. Drotziger, S., Pfleiderer, C., Uhlarz, M., Lohneysen, H.V., Souptel, D., Loser, W., Behr, G.: Phys. Rev. B 73, 214413 (2006)

    Article  ADS  Google Scholar 

  4. Kusakabe, K., Geshi, M., Tsukamoto, H., Suzuki, N.: J. Phys., Condens. Matter 16, S5639 (2004)

    Article  ADS  Google Scholar 

  5. Yao, K.L., Jiang, J.L., Liu, Z.L., Gao, G.Y.: Phys. Lett. A 359, 326 (2006)

    Article  ADS  Google Scholar 

  6. Sieberer, M., Redinger, J., Khmelevskyi, S., Mohn, P.: Phys. Rev. B 73, 024404 (2006)

    Article  ADS  Google Scholar 

  7. Gao, G.Y., Yao, K.L.: Appl. Phys. Lett. 91, 082512 (2007)

    Article  ADS  Google Scholar 

  8. Volnianska, O., Boguslawski, P.: Phys. Rev. B 75, 224418 (2007)

    Article  ADS  Google Scholar 

  9. Gao, G.Y., Yao, K.L., Sasioglu, E., Sandratskii, L.M., Liu, Z.L., Jiang, J.L.: Phys. Rev. B 75, 174442 (2007)

    Article  ADS  Google Scholar 

  10. Volnianska, O., Jakubas, P., Boguslawski, P.: J. Alloys Compd. 423, 191 (2006)

    Article  Google Scholar 

  11. Gao, G.Y., Yao, K.L., Liu, Z.L., Min, Y., Zhang, J., Fan, S.W.: J. Phys., Condens. Matter 21, 275502 (2009)

    Article  ADS  Google Scholar 

  12. Zhang, C.W., Yan, S.S.: Solid State Conmun. 149, 387–392 (2009)

    Article  ADS  Google Scholar 

  13. Ivanovskii, A.L.: Phys. Usp. 50, 1031 (2007)

    Article  ADS  Google Scholar 

  14. Volnianska, O., Boguslawski, P.: J. Phys., Condens. Matter 22, 073202 (2010)

    Article  ADS  Google Scholar 

  15. Wolf, S.A., Awschalom, D.D., Buhrman, R.A., Daughton, J.M., Molnár, S. von, Roukes, M.L., Chtchelkanova, A.Y., Treger, D.M.: Science 294, 1488 (2001)

    Article  ADS  Google Scholar 

  16. Zutic, I., Fabian, J., Das Sarma, S.: Rev. Mod. Phys. 76, 323 (2004)

    Article  ADS  Google Scholar 

  17. Fang, C.M., de Wils, G.A., de Groot, R.A.: J. Appl. Phys. 91, 8340 (2002)

    Article  ADS  Google Scholar 

  18. Zhang, C.W.: J. Phys. D, Appl. Phys. 41, 085006 (2008)

    Article  ADS  Google Scholar 

  19. Geshi, M., Kusakabe, K., Nagara, H., Suzuki, N.: J. Phys. Soc. Jpn. 76, 074717 (2007)

    Article  ADS  Google Scholar 

  20. Pickett, W.E.: Comput. Phys. Rep. 9, 115 (1989)

    Article  ADS  Google Scholar 

  21. Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., Joannopoulos, J.D.: Rev. Mod. Phys. 64, 1045 (1992)

    Article  ADS  Google Scholar 

  22. Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., Payne, M.C.: J. Phys., Condens. Matter 14, 2717 (2002)

    Article  ADS  Google Scholar 

  23. Perde, J.P., Burke, K., Ernzehof, M.: Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  24. Dong, S.J., Zhao, H.: Appl. Phys. Lett. 98, 182501 (2011)

    Article  ADS  Google Scholar 

  25. Miao, M.S., Lambrecht, W.R.L.: Phys. Rev. B 71, 064407 (2005)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. College of Physics and Electronic Information, Tianjin Normal University, Tianjin, 300387, China

    Qing-Sheng Shao & Hui Zhao

Authors
  1. Qing-Sheng Shao
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Hui Zhao
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Hui Zhao.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Shao, QS., Zhao, H. First-Principles Studies on Magnetic Stability of SrC and BaC in Rocksalt, Zincblende, and Nickel Arsenide Phases Under Pressure. J Supercond Nov Magn 25, 2063–2067 (2012). https://doi.org/10.1007/s10948-012-1565-6

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10948-012-1565-6

Keywords

Search

Navigation