Fig. 3: Electronic and magnetic properties of the NbSxSe2−x alloys.
From: Effect of alloying in monolayer niobium dichalcogenide superconductors
a Energy difference between the spin spiral state and the non magnetic state as a function of sulfur content, x, in NbSxSe2−x (blue filled squares, left vertical axis). Magnetic moment per Nb atom as a function of sulfur content in the spin spiral calculation with finite q (green circles, right vertical axis). b Collinear fixed-spin moment calculations of NbSe2 (gray squares), NbS2 (orange circles), NbS0.5Se1.5 (teal diamonds), NbSSe (red downward triangles), and NbS1.5Se0.5 (blue triangles) illustrate the change in energy per formula unit with respect to the non-magnetic state as a function of magnetic moment per Nb atom. The inset illustrates the coefficient a1 (see main text) normalized by the value of a1 in NbSe2. c Density of states at the Fermi level, EF, as a function of sulfur content, x. The magnitude of the DOS for NbSe2 and NbS2 correspond to the spin spiral state (Supplementary information).
