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The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineralphase of the Earth's lowermost mantle (the D" layer). Its properties explainnumerous geophysical observations associated with this layer - for example, theD'' discontinuity, its topography and seismic anisotropy within the layer. Herewe use a novel simulation technique, first-principles metadynamics, to identifya family of low-energy polytypic stacking-fault structures intermediate betweenthe perovskite and post-perovskite phases. Metadynamics trajectories identifyplane sliding involving the formation of stacking faults as the most favourablepathway for the phase transition, and as a likely mechanism for plasticdeformation of perovskite and postperovskite. In particular, the predicted slipplanes are (010) for perovskite (consistent with experiment) and (110) forpostperovskite (in contrast to the previously expected (010) slip planes).Dominant slip planes define the lattice preferred orientation and elasticanisotropy of the texture. The (110) slip planes in post-perovskite require amuch smaller degree of lattice preferred orientation to explain geophysicalobservations of shear-wave anisotropy in the D" layer.

Anisotropy of Earth's D" layer and stacking faults in the MgSiO3 post-perovskite phase