Superconductivity and magnetism in CuBiSO from first principles

I. I. Mazin
2010 Physical Review B  
BiOCu_1-yS was recently reported to superconduct at T=5.8 K at y 0.15. Band structure calculations indicate that stoichiometric BiOCuS is a band insulator. In this paper, I show that hole-doped (whether in the virtual crystal approximation or with actual Cu vacancies) BiOCuS is on the verge of a ferromagnetic instability (cf. Pd metal), and therefore conventional superconductivity with Tc 6 K is quite unlikely. Presumably, hole-doped BiOCuS is another example of superconductivity mediated by spin-fluctuations
doi:10.1103/physrevb.81.140508 fatcat:mgtpyq7uafdd5b4f7f6koy3frm