Two superconductors with a new chiral noncentrosymmetric crystal structure and Hc2 values above the Pauli limit.

Superconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr 2 B 2 and TaIr 2 B 2 , are presented with superconducting transitions at 7.2 and 5.2 K, respectively. They display a unique noncentrosymmetric crystal structure, and for both compounds the magnetic field that destroys the superconductivity at 0 K exceeds one of the fundamental characteristics of conventional superconductors (the "Pauli limit"), suggesting that the superconductivity may be unconventional. Supporting this experimentally based deduction, first-principle calculations show a spinsplit Fermi surface due to the presence of strong spin-orbit coupling. These materials may thus provide an excellent platform for the study of unconventional superconductivity in intermetallic compounds.

We present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κGL = 17, λe–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by x-ray photoelectron spectroscopy. The normal state magnetic susceptibility is weakly temperature dependent and follows the inter-configuration fluctuation model with a singlet Ce−4 f 0 ground state. Theoretical calculations support a non-magnetic ground state of the system and reveal that Ir−5d states are dominant at the Fermi level.

Polycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refinement of powder x-ray diffraction data confirms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a = 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with Tc = 2.94 K was confirmed by detailed heat capacity studies. The measurements indicate that LiGa2Ir is a weak-coupling type-II superconductor ($${\uplambda }$$ λ e–p = 0.57, $${\Delta }$$ Δ C/$${\upgamma }$$ γ Tc = 1.4). Electronic structure, lattice dynamics, and the electron–phonon interaction are studied from first principles calculations. Ir and two Ga atoms equally contribute to the Fermi surface with a minor contribution from Li. The phonon spectrum contains separated high frequency Li modes, which are seen clearly as an Einstein-like contribution in the specific heat. The calculated electron–phonon coupling constant $${\uplambda }$$ λ e–p = 0.68 confirms the electron–phonon mechanism for the superconductivity. LiGa2Ir and recently reported isoelectronic LiGa2Rh are the only two known representatives of the Heusler superconductors with the valence electron count VEC = 16.

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