Fig. 3: Comparing the low-energy dispersions between Cr- and Mn-intercalated NbS2.
From: Hund’s rule coupling and interlayer hybridization of intercalated transition metal dichalcogenides

a Intensity plots along the Γ − M and Γ − K directions of Cr1/3NbS2. b The same as (a) but for Mn1/3NbS2. c EDCs along Cut1 and Cut2 in (a) and (b). Different colors represent cuts in different materials: black for Cr1/3NbS2 and red for Mn1/3NbS2. The horizontal blue dashed lines that run through (a–c) are guides for comparing energy positions. d kz dispersion of the ω band at the M0 point. e The crossing bands along Γ − K in (a, b) are fitted by parabolic curves and the Fermi velocities are fitted by lines, respectively [see details in Supplementary Fig. 1] (Supplementary Information for the first-principles electronic structure calculations). The size of each marker reflects the measurement uncertainty (~15 meV and ±0.01 Å−1), while the black (±20 meV and 0.01 Å−1) and red (±40 meV and 0.01 Å−1) bars at the bottom represent the maximum fitting errors in the energy and momentum directions, respectively. f Electron configurations of TM in D3d and Nb in D3h crystal fields. In the upper panel, the black solid arrows represent the electron filling of Cr d3 in the t2g orbitals, while the additional electron in Mn d4 occupies one of the eg orbitals. In the lower panel, the black dashed arrow represents an electron transferring from the TM to the NbS2 layer.