Fig. 3: Density of states for RuX3 (X = Cl, Br, I). | npj Quantum Materials

Fig. 3: Density of states for RuX3 (X = Cl, Br, I).

From: Electronic and magnetic properties of the RuX3 (X = Cl, Br, I) family: two siblings—and a cousin?

Fig. 3: Density of states for RuX3 (X = Cl, Br, I).

Density of states (DOS) for the experimental structures of RuCl3, RuBr3, and RuI3, obtained from GGA + SO + U calculations with Wien2k, considering antiferromagnetic zigzag magnetic configurations. For RuCl3 we employed Ueff = 2.7 eV, for RuBr3 Ueff = 2.1 eV and for RuI3 Ueff = 1.4 eV. Shown is also the contribution of Ru and halogen states to the DOS.

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