Fig. 1: Crystal structure and low-energy electronic states of Mn1/3NbS2 and 2H-NbS2.
From: Hund’s rule coupling and interlayer hybridization of intercalated transition metal dichalcogenides
a Crystal structure of 3d atoms intercalted NbS2. TM represents 3d transitional metal atoms. b, c The calculated DOS of Mn1/3NbS2 and 2H-NbS2, respectively. d Integrated intensity plots at EF ± 10 meV taken on the kz ~ 0 plane for Mn1/3NbS2. The solid lines is a BZ of Mn1/3NbS2 and the dashed lines is a primitive BZ of NbS2. e Intensity plots and the corresponding second derivative plots along the Γ − M − K0 for Mn1/3NbS2. The second derivative is made by the 2D curvature method37. The MDC at EF is appended and the solid red lines in the second derivative plots show the bands near EF. f Integrated intensity plots (±10 meV) and corresponding second derivative plots on the kx-kz plane at EF taken by various photon energies for Mn1/3NbS2. High-symmetry points and the band names are indicated.
