Comparative Analysis of η-Carbide Superconductors: Structural, Electronic, and Superconducting Properties of Zr₄Rh₂O, Zr₄Pd₂O, and Ti₄Ir₂O
DOI:
https://doi.org/10.31224/5105Keywords:
Related Keywords Material-Specific Keywords η-Carbide superconductors A₄B₂O-type compounds Zr₄Rh₂O, Zr₄Pd₂O, Ti₄Ir₂O Cubic intermetallics (Fd-3m) Superconductivity Keywords Upper critical field (Hc₂) Pauli paramagnetic limit violation Spin-orbit coupling (SOC) enhancement Type-II superconductivity Vortex pinning mechanisms Theoretical & Computational Keywords Density functional theory (DFT) Eliashberg formalism Wannier tight-binding models Bader charge analysis Relativistic band structure Experimental Keywords Arc-melting synthesis PPMS magnetotransport µSR (muon spin rotation) STEM-EELS characterization X-ray diffraction (XRD) refinement Application-Oriented Keywords High-field magnet materials Quantum computing components Fault-current limiters Cryogenic engineering Energy-efficient superconductorsAbstract
This study presents a comprehensive investigation of three η-carbide-type superconductors (**Zr₄Rh₂O, Zr₄Pd₂O, and Ti₄Ir₂O) through combined theoretical modeling and experimental data analysis. We introduce a novel unified parameter (*E*) that quantifies superconducting potential based on elemental composition and spin-orbit coupling (SOC) effects. Our key findings reveal:
Zr₄Rh₂O exhibits conventional behavior, adhering to the Pauli paramagnetic limit (Hc₂/Hp = 0.81)
Zr₄Pd₂O (Hc₂/Hp = 1.27) and Ti₄Ir₂O (Hc₂/Hp = 1.63) demonstrate significant Pauli limit violation
-Ti₄Ir₂O achieves the highest upper critical field (μ₀Hc₂ = 16.1 T) due to strong SOC from iridium
- The parameter E shows strong correlation with Hc₂ enhancement (R² = 0.91), serving as an effective predictive tool
These results provide crucial insights into the relationship between chemical composition, spin-orbit interactions, and superconducting performance in η-carbide materials. The findings highlight **Ti₄Ir₂O** as particularly promising for high-field applications while establishing parameter **E** as a valuable metric for materials design.
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Copyright (c) 2025 Sudhakar Geruganti
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