Journal
PHYSICAL REVIEW B
Volume 85, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.115133
Keywords
-
Ask authors/readers for more resources
We present first-principles calculations of the structural and electronic properties of the CuS covellite material. The symmetry-lowering structural transition is well reproduced. However, the microscopic origin of the transition is unclear. The calculations firmly establish that the previously controversial Cu valency in this compound is 1.33. We also argue that recently reported high-temperature superconductivity (HTSC) in CuS is unlikely to occur in the stoichiometric defect-free material, since the determined Cu valency is too close to 1 to ensure proximity to a Mott-Hubbard state and superexchange spin fluctuations of considerable strength. On the other hand, one can imagine a related system with more holes per Cu in the same structural motif (e.g., due to defects or O impurities), in which case the combination of superexchange and a Fermi surface enlarged compared to that of CuS may lead to unconventional superconductivity, as in HTSC cuprates, but, unlike them, of an f-wave symmetry.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available