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Elastic isotropy of hcp-Fe under Earth core conditions

Our first-principles calculations show that both the compressional and shear waves of hcp-Fe become elastically isotropic under the high temperatures of Earth inner core conditions, with the variation in sound velocities along different angles from the c axis within 1%. We computed the thermoelasticity at high pressures and temperatures from quasiharmonic linear response linear-muffin-tin-orbital calculations in the generalized-gradient approximation. The calculated anisotropic shape and magnitude in hcp-Fe at ambient temperature agree well with previous first-principles predictions, and the anisotropic effects show strong temperature dependences. This implies that other mechanisms, rather than the preferential alignment of the hcp-Fe crystal along the Earth rotation axis, account for the seismic P-wave travel time anomalies. Either the inner core is not hcp iron, and/or the seismologically observed anisotropy is caused by inhomogeneity, i.e. multiple phases.