Fig. 2: Charge order models of LuFe2O4 corresponding to observed SXD pattern from 0.8 to 12.6 GPa. | npj Quantum Materials

Fig. 2: Charge order models of LuFe2O4 corresponding to observed SXD pattern from 0.8 to 12.6 GPa.

From: Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe2O4

Fig. 2

Red and blue spheres represent Fe2+ and Fe3+ ions, respectively. Sphere size in (a, c, e) indicates the Fe ions in different planes. Thick and thin solid lines represent the nearest neighbored (NN) and next-nearest neighbored (NNN) Fe-Fe pairs, respectively. Dashed lines represent lattice boundaries. a, b Centrosymmetric CO-AP model with k ~ (1/3, 1/3, 3/2). c, d Non-centrosymmetric CO-2D model with k ~ (1/3, 1/3, 0) at P = 5.0 GPa. Noted the interlayer arrangements in (b) and (d) are different due to changes in the L-component of the wave vector. e, f CO-HP model for k = (1/4, 1/4, 0), corresponding SXD patterns observed between 6.0 and 12.6 GPa.

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