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Journal of Superconductivity and Novel Magnetism

, Volume 32, Issue 11, pp 3425–3430 | Cite as

Electronic Structure, Lattice Dynamics, and Superconducting Properties of Mercury-Alkaline Earth Metal Compounds: a First-Principles Study

  • Harsha PawarEmail author
  • Mahendra Aynyas
  • Mani Shugani
  • Sankar P. Sanyal
Original Paper
  • 52 Downloads

Abstract

The electronic structure, lattice dynamics, and superconducting properties of SrHg and BaHg intermetallic compounds are investigated using plane wave pseudo-potential and linear response methods based on density functional theory. The ground state properties such as lattice parameters are in good agreement with previously reported results. The positive phonon frequencies reveal the stability of both compounds in B2 (CsCl-type) structure. The metallic nature of SrHg and BaHg is confirmed by the electronic band structure as well as phonon dispersion curves. The superconducting behavior described in terms of Eliashberg spectral function (α2F(ω)) and electron-phonon coupling constant (λ). The calculated values of superconducting transition temperatures (Tc) show good agreement with available experimental data.

Keywords

Electronic structure Lattice dynamics Electron-phonon interaction Superconducting properties 

Notes

Acknowledgments

The authors (H.P. and M.S.) are thankful to the Madhya Pradesh Council of Science and Technology (MPCST), Bhopal, for the financial support under research and development scheme (A/R&D/RP-2/Phy&Engg./2017-18/282). One of us (H.P.) is also thankful to Nikita Acharya and Deepika Shrivastava for their valuable assistance and suggestions.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Harsha Pawar
    • 1
    • 2
    Email author
  • Mahendra Aynyas
    • 3
  • Mani Shugani
    • 2
  • Sankar P. Sanyal
    • 1
  1. 1.Department of PhysicsBarkatullah UniversityBhopalIndia
  2. 2.Department of PhysicsSadhu Vaswani Auto. CollegeBhopalIndia
  3. 3.Department of PhysicsC. S. A. Govt. P. G. CollegeSehoreIndia

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