Journal of Superconductivity and Novel Magnetism

, Volume 29, Issue 10, pp 2503–2508 | Cite as

Structural, Elastic, and Electronic Properties of Newly Discovered Li2PtSi3 Superconductor: Effect of Transition Metals

  • M. A. Alam
  • M. A. Hadi
  • M. T. Nasir
  • M. Roknuzzaman
  • F. Parvin
  • M. A. K. Zilani
  • A. K. M. A. Islam
  • S. H. NaqibEmail author
Original Paper


A density functional study with a GGA-PBE exchange-correlation scheme has been carried out to predict the structural, elastic, and electronic properties of the newly discovered lithium silicide superconductor, Li2PtSi3, for the first time. All the theoretical results are compared with those found recently for isostructural Li2IrSi3. This study sheds light on the important effect of replacement of the transition metal element Ir with Pt, on different mechanical, electronic, and superconducting properties. The role of spin–orbit coupling on the electronic band structure is found to be insignificant for Li2PtSi3. The difference in superconducting transition temperatures of Li2PtSi3 and Li2IrSi3 arises primarily due to the difference in electronic energy density of states at the Fermi level. Somewhat reduced Debye temperature in Li2PtSi3 plays a minor role. We have discussed the implications of the theoretical findings in details in this paper.


Silicide superconductors Structural parameters Elastic properties Electronic structures 


  1. 1.
    Hardy, G.F., Hulm, J.K.: Phys. Rev. 89, 884 (1953)ADSCrossRefGoogle Scholar
  2. 2.
    Hirai, D., Kawakami, R., Magdysyuk, O., Dinnebier, R.E., Yaresko, A., Takagi, H.: J. Phys. Soc. Japan 83, 103703 (2014)ADSCrossRefGoogle Scholar
  3. 3.
    Pyon, S., Kudo, K., Matsumura, J., Ishii, H., Matsuo, G., Nohara, M., Hojo, H., Oka, K., Azuma, M., Garlea, V.O., Kodama, K., Shamoto, S.: J. Phys. Soc. Japan 83, 093706 (2014)ADSCrossRefGoogle Scholar
  4. 4.
    Lu, H.-Y., Yang, N.-N., Geng, L., Chen, S., Yang, Y., Lu, W.-J., Wang, W.-S., Sun, J.: Europhys. Lett. 110, 17003 (2015)ADSCrossRefGoogle Scholar
  5. 5.
    Hadi, M.A., Alam, M.A., Roknuzzaman, M., Nasir, M.T., Islam, A.K.M.A., Naqib, S.H.: Chinese Physics B 24, 117401 (2015)ADSCrossRefGoogle Scholar
  6. 6.
    Clark, S.J., Segall, M.D., Pickard, C.J., Hasnip, P.J., Probert, M.I.J., Refson, K., Payne, M.C.: Zeitschrift für Kristallographie 220(205), 567Google Scholar
  7. 7.
    Hohenberg, P., Kohn, W.: Phys. Rev. 136, B864 (1964)ADSMathSciNetCrossRefGoogle Scholar
  8. 8.
    Kohn, W., Sham, L.J.: Phys. Rev. 140, A1133 (1965)ADSMathSciNetCrossRefGoogle Scholar
  9. 9.
    Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRefGoogle Scholar
  10. 10.
    Vanderbilt, D.: Rev, Phys. B 41, 7892 (1990)CrossRefGoogle Scholar
  11. 11.
    Fischer, T.H., Almlof, J.: J. Phys. Chem. 96, 9768 (1992)CrossRefGoogle Scholar
  12. 12.
    Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)ADSMathSciNetCrossRefGoogle Scholar
  13. 13.
    Murnaghan, F.D.: Finite Deformation of an Elastic Solid. Wiley, New York (1951)zbMATHGoogle Scholar
  14. 14.
    Voigt, W.: Lehrbuch der Kristallphysik. B.G.Taubner, Leipzig (1928)zbMATHGoogle Scholar
  15. 15.
    Reuss, A., Angew, Z.: Math. Mech. 9, 49 (1929)Google Scholar
  16. 16.
    Hill, R.: Proc. Phys. Soc. A 65, 349 (1952)ADSCrossRefGoogle Scholar
  17. 17.
    Anderson, O.L.: J. Phys. Chem. Solids 24, 909 (1963)ADSCrossRefGoogle Scholar
  18. 18.
    Gao, F.M.: Phys. Rev. B 73, 132104 (2006)ADSCrossRefGoogle Scholar
  19. 19.
    Gou, H.Y., Hou, L., Zhang, J.W., Gao, F.M.: Appl. Phys. Lett. 92, 241901 (2008)ADSCrossRefGoogle Scholar
  20. 20.
    Born, M.: Proc. Camb. Math. Philos. Soc. 36, 160 (1940)ADSMathSciNetCrossRefGoogle Scholar
  21. 21.
    Romero, M., Escamilla, R.: Comp. Mater. Sci. 55, 142 (1940)CrossRefGoogle Scholar
  22. 22.
    Pugh, S.F.: Philos. Mag. 45, 823 (1954)CrossRefGoogle Scholar
  23. 23.
    Frantsevich, I.N., Voronov, F.F., Bokuta, S.A.: Elastic Constants and Elastic Moduli of Metals and Insulators Handbook, Naukova Dumka, Kiev (Ukraine) (1983)Google Scholar
  24. 24.
    Du, Y.L., Sun, Z.M., Hashimoto, H., Barsoum, M.W.: Phys. Lett. A 374, 78 (2009)ADSCrossRefGoogle Scholar
  25. 25.
    Vitos, L., Korzhavyi, P.A., Johansson, B.: Nat. Mater. 2, 25 (2003)ADSCrossRefGoogle Scholar
  26. 26.
    Mattesini, M., Ahuja, R., Johansson, B.: Phys. Rev. B 68, 184108 (2003)ADSCrossRefGoogle Scholar
  27. 27.
    Hadi, M.A., Ali, M.S., Naqib, S.H., Islam, A.K.M.A.: Int. J. Comp. Mater. Sci. Eng. 2, 1350007 (2013)CrossRefGoogle Scholar
  28. 28.
    Allen, P.B., Dynes, R.C.: Phys. Rev. B 12, 905 (1975)ADSCrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  • M. A. Alam
    • 1
  • M. A. Hadi
    • 2
  • M. T. Nasir
    • 5
  • M. Roknuzzaman
    • 3
  • F. Parvin
    • 2
  • M. A. K. Zilani
    • 1
  • A. K. M. A. Islam
    • 2
    • 4
  • S. H. Naqib
    • 2
    Email author
  1. 1.Department of PhysicsRajshahi University of Engineering and TechnologyRajshahiBangladesh
  2. 2.Department of PhysicsUniversity of RajshahiRajshahiBangladesh
  3. 3.Department of PhysicsJessore University of Science and TechnologyJessoreBangladesh
  4. 4.International Islamic University ChittagongChittagongBangladesh
  5. 5.Department of Arts & ScienceBangladesh Army University of Science & TechnologySaidpurBangladesh

Personalised recommendations