Probing the superconducting gap structure of ScRuSi via μSR and first-principles calculations

In this study, we present a thorough investigation into the superconducting state of the ruthenium-based ternary equiatomic compound ScRuSi. Our analysis combines experimental techniques, including muon spin rotation/relaxation (μSR) and low-temperature resistivity measurements, with theoretical insights derived from first-principles calculations. The low-temperature resistivity measurements reveal a distinct superconducting phase transition in the orthorhombic structure of ScRuSi at a critical temperature (TC) of 2.5K. Further, the TF-μSR analysis yields a gap-to-critical-temperature ratio of 2Δ/kBTC=2.71, a value consistent with results obtained from previous heat capacity measurements. The temperature dependence of the superconducting normalized depolarization rate is fully described by the isotropic s-wave gap model. Additionally, zero-field μSR measurements indicate that the relaxation rate remains nearly identical below and above TC. This observation strongly suggests the preservation of time-reversal symmetry within the superconducting state. By employing the McMillan-Allen-Dynes equation, we calculate a TC of 2.11K from first-principles calculations within the density functional theory framework. This calculated value aligns closely with the experimentally determined critical temperature. The coupling between the low-frequency phonon modes and the transition metal d-orbital states play an important role in governing the superconducting pairing in ScRuSi. The combination of experimental and theoretical approaches provides a comprehensive microscopic understanding of the superconducting nature of ScRuSi, offering insights into its critical temperature, pairing symmetry, and the underlying electron-phonon coupling mechanism.