Structure, Superconductivity, and Magnetism of Ce(O,F)BiS2 Single Crystals

The crystal structures of Ce(O,F)BiS2 synthesized from starting materials with five different F contents were determined by single-crystal X-ray analysis. An increase in F content in the starting materials slightly increased F incorporation in the grown single crystals. The grown crystals with various F contents showed similar layered structures, but minor structural changes were observed with different conductive and magnetic properties. Crystals grown from higher F content were found to have a nearly flat Bi-S plane and elongated Ce-(O,F) bond, and showed superconductive transition below similar to 3 K and spontaneous magnetization below similar to 7 K. The calculated density of states based on this structural analysis predicted that hybridized Bi 6p-S 3p orbitals intersect the Fermi level and that Ce states are located near the Fermi level. The effect of structural change on superconductivity and long-range magnetic ordering has been discussed.