Electronic Structure, Lattice Dynamics, and Superconducting Properties of Mercury-Alkaline Earth Metal Compounds: a First-Principles Study
| Autor: | Mahendra Aynyas, Sankar P. Sanyal, Mani Shugani, Harsha Pawar |
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| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Superconductivity Coupling constant Materials science Condensed matter physics Phonon Intermetallic Electronic structure Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Condensed Matter::Superconductivity 0103 physical sciences Condensed Matter::Strongly Correlated Electrons Density functional theory 010306 general physics Ground state Electronic band structure |
| Zdroj: | Journal of Superconductivity and Novel Magnetism. 32:3425-3430 |
| ISSN: | 1557-1947 1557-1939 |
| DOI: | 10.1007/s10948-019-5124-2 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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