Superconductivity in a breathing kagomé metals ROs2 (R = Sc, Y, Lu)

Abstract

Abstract We have successfully synthesized three osmium-based hexagonal Laves compounds ROs2 (R = Sc, Y, Lu), and discussed their physical properties. LeBail refinement of pXRD data confirms that all compounds crystallize in the hexagonal centrosymmetric MgZn2 – type structure (P63/mmc, No. 194). The refined lattice parameters are a = b = 5.1791(1) Å and c = 8.4841(2) Å for ScOs2, a = b = 5.2571(3) Å and c = 8.6613(2) Å for LuOs2 and a = b = 5.3067(6) Å and c = 8.7904(1) Å for YOs2. ROs2 Laves phases can be viewed as a stacking of kagomé nets interleaved wih triangular layers. Temperature-dependent magnetic susceptibility, resistivity and heat capacity measurements confirm bulk superconductivity with Tc = 5.36, 4.55, and 3.47 K for ScOs2, YOs2, and LuOs2, respectively. We have shown that all investigated Laves compounds are weakly-coupled type-II superconductors. DFT calculations revealed that the band structure of ROs2 is intricate due to multiple interacting d orbitals of Os and R. Nonetheless, the kagomé-derived bands maintain their overall shape, and the Fermi level is found originates from the kagomé flat bands that are broadened by interlayer interaction. As a result, ROs2 can be classified as (breathing) kagomé metal superconductors.