2 Quantum Chemistry in Perovskite Fluoride and Hydride: Nanoscale. . .
35
Fig. 2.7 The potential energy curves of (a) K 2 Mg 4 F 2 H and (b) KMg 4 F 2 H models, when
displacing hydride ion along the diagonal line. Note that d notes a migration distance from
hydrogen lattice position (see blue arrows in Fig. 2.1c, d)
35
Fig. 2.7 The potential energy curves of (a) K 2 Mg 4 F 2 H and (b) KMg 4 F 2 H models, when
displacing hydride ion along the diagonal line. Note that d notes a migration distance from
hydrogen lattice position (see blue arrows in Fig. 2.1c, d)