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Superconductivity near the Mott-Ioffe-Regel limit in the high-entropy alloy superconductor (ScZrNb)$_{1-x}$(RhPd)$_x$ with a CsCl-type lattice
- Source :
- Phys. Rev. B 108, 064507 (2023)
- Publication Year :
- 2023
-
Abstract
- Theoretical analysis of the electronic structure of the high-entropy-type superconductor (ScZrNb)$_{1-x}$(RhPd)$_x$, $x \in (0.35, 0.45)$ is presented. The studied material is a partially ordered CsCl-type structure, with two sublattices, randomly occupied by Sc, Zr, Nb (first sublattice) and Nb, Rh, and Pd (second sublattice). Calculations were done using the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) and take into account the substitutional disorder. Our total energy calculations confirm the preference for the partially ordered structure over the fully random {\it bcc}-type one. Electronic densities of states $N(E)$, dispersion relations, and McMillan-Hopfield parameters $\eta$ (electronic contribution to electron-phonon coupling) are studied as a function of composition. The computed increasing trends in $N(E_F)$ and $\eta$ with $x$ are opposite to what we expected based on the experimental results, where the decrease in the critical temperature with increasing $x$ was found. Very strong electron scattering due to disorder is observed, as the electronic dispersion relations are strongly smeared. As a result, the computed electronic lifetimes $\tau$ are very short, leading to a small mean-free path of electrons of the order of interatomic distance, which puts (ScZrNb)$_{1-x}$(RhPd)$_x$ near the Mott-Ioffe-Regel limit. The trend in $\tau(x)$ is similar to the trend observed experimentally in $T_c(x)$, suggesting that disorder may be the factor that influences $T_c$ in this series of alloys.<br />Comment: 13 pages, 12 figures, accepted in Physical Review B
- Subjects :
- Condensed Matter - Superconductivity
Subjects
Details
- Database :
- arXiv
- Journal :
- Phys. Rev. B 108, 064507 (2023)
- Publication Type :
- Report
- Accession number :
- edsarx.2308.03153
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1103/PhysRevB.108.064507