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D. Wickramaratne, S. Khmelevskyi, D. Agterberg, I. Mazin:
"Ising superconductivity and magnetism in NbSe2";
Physical Review X, 10 (2020), 041003.

Recent studies on superconductivity in NbSe2 have demonstrated a large anisotropy in the super-
conducting critical field when the material is reduced to a single monolayer. Motivated by this recent
discovery, we use density-functional theory (DFT) calculations to quantitatively address the super-
conducting properties of bulk and monolayer NbSe2. We demonstrate that NbSe2 is close to a
ferromagnetic instability, and analyze our results in the context of experimental measurements of the
spin susceptibility in NbSe2. We show how this magnetic instability, which is pronounced in a single
monolayer, can enable sizable singlet-triplet mixing of the superconducting order parameter, contrary to
contemporary considerations of the pairing symmetry in monolayer NbSe2, and discuss approaches as to
how this degree of mixing can be addressed quantitatively within our DFT framework. Our calculations
also enable a quantitative description of the large anisotropy of the superconducting critical field, using
DFT calculations of monolayer NbSe2 in the normal state.

http://dx.doi.org/10.1103/PhysRevX.10.041003

https://publik.tuwien.ac.at/files/publik_302176.pdf