Fig. 3: Two-site energy levels and bilinear magnetic couplings. | npj Quantum Materials

Fig. 3: Two-site energy levels and bilinear magnetic couplings.

From: Hybrid spin-orbit exciton-magnon excitations in FePS3

Fig. 3

a Evolution of lowest energy eigenvalues for two-site Z1-bond cluster. States are colored according to their composition in terms of Jeff states. For Ut2g ≤ 5 eV, Jeff = 2 states intrude into the low-energy space, invalidating a pure Jeff = 1 model. b, c Evolution of bilinear couplings in Jeff = 1 model for large Ut2g for first and third neighbors, respectively. Second neighbor couplings are an order of magnitude smaller and are not shown.

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