Fig. 2: The band structures of TMCM-MnCl3. | npj Computational Materials

Fig. 2: The band structures of TMCM-MnCl3.

From: Tunable spin textures in polar antiferromagnetic hybrid organic–inorganic perovskites by electric and magnetic fields

Fig. 2

We discuss G-type AFM (a, b) and C-type AFM (c, d) without SOC (a, c) and with SOC (b, d), respectively. In b, d, the spin moment is set to be along the y direction. The abscissa is the Brillouin zone coordinate along the symmetry line and the ordinate is the energy, where the Fermi level is set to 0 eV. The magnified inset in b shows the SOC-induced band splitting around the \({\mathrm{\Gamma }}\) point. The band degeneracy at the \({\mathrm{\Gamma }}\) point is represented by \({\bar{\mathrm D}}\). The crystal lattice accompanied with the mirror reflection are shown in e with the polarization along approximately [10\(\bar 1\)] direction. In f, the first Brillouin zone with the symmetry path in band structure calculations. The olive green section containing \(k_b\) and \(k_{ac}\) is adopted to draw the spin texture, where \(k_b\) and \(k_{ac}\) denote the \(k\) path from \({\mathrm{\Gamma }}\) (0,0,0) to \({\mathrm{Y}}\) (0,0.5,0) and \({\mathrm{Q}}\) (0.5,0,0.5), respectively.

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