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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. Naqib
Original Paper

Abstract

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.

Keywords

Silicide superconductors Structural parameters Elastic properties Electronic structures 

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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
  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

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