1. ThCr2Si2-type Ru-based superconductors LaRu2M2 (M = P and As): An ab-initio investigation.
- Author
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Rahaman, Md. Zahidur and Rahman, Md. Atikur
- Subjects
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CRYOELECTRONICS , *ELECTRONIC materials , *SUPERCONDUCTORS , *SOLID state electronics , *SOLID state physics - Abstract
ThCr 2 Si 2 -type Ru-based superconductors LaRu 2 P 2 and LaRu 2 As 2 with T c ∼4 K and 7.8 K respectively have been reported very recently. Using the first principles method we investigate the detailed physical and superconducting properties including the structural properties, electronic properties, elastic properties and Thermodynamic properties of these superconductors. Our investigated lattice parameters accord well with the experimental result. The analysis of the electronic band structure and density of states (DOS) indicates the metallic nature of both the compounds emerges from the La and Ru and the study of chemical bonding implies that a mixture of covalent, ionic and metallic bonds exists in both the compounds. The study of the mechanical properties revels that LaRu 2 P 2 is brittle in nature while LaRu 2 As 2 demonstrates the ductile nature and both the compounds show anisotropic characteristics. Finally we determine the Debye temperature and detailed superconducting parameters indicating that both the compounds under study are phonon-mediated medium coupled BCS superconductors. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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