Fig. 2. Band structures and projected densities of states (PDOS) onto the Ru jeff =1/2 and 3/2 states. Top (a-c), middle (d-f), and bottom (g-i) rows show results obtained for α-RuCl3, α-RuBr3, and α-RuI3, respectively. Left (a, d, and g), middle (b, e, and h), and right (c, f, and i) columns show results with SOC, SOC+Ueff (2 eV), and SOC+Ueff+antiferromagnetism (Neel type), respectively. Note that nonmagnetic constraint was enforced when obtaining results in the left and middle columns.
© Appl. Sci. Converg. Technol.