Fig. 4: The calculated electronic states of NiI2 monolayer and nanoribbon.
From: Orientation-selective spin-polarized edge states in monolayer NiI2
a Band structures of NiI2 monolayer with SOC included in the 4.5 × √3 spin spiral state. b The upper and lower panels show the edge geometric structures and magnetic structures of zigzag nanoribbons terminated by Ni and I atoms, respectively. The spin orientations of each Ni atom are labeled by red arrows. The edge states for the freestanding NiI2 nanoribbons with c Ni-terminated edges and d I-terminated edges. The edge states are marked by purple arrow. e The distribution of partial charge density of the Ni-terminated edge states at the Γ point as denoted by purple arrow in c. The isosurface is set to 1 × 10–6 e/Å3. The planar-averaged charge density across the nanoribbon width is shown in the right part of (e). f The distribution of magnetization density of the nanoribbons in the spin-spiral state. The yellow and cyan contours represent positive and negative moments along the x direction, respectively. The isosurface is set to 1.5 × 10–3 e/Å3.
