Constraints on the crystalline structure of the inner core: Mechanical instability of BCC iron at high pressure

Details Constraints on the crystalline structure of the inner core: Mechanical instability of BCC iron at high pressure Constraints on the crystalline structure of the inner core: Mechanical instability of BCC iron at high pressure

Jan 1995

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1995georl..22..125s&link_type=abstract

Geophysical Research Letters (ISSN 0094-8276), vol. 22, no. 2, p. 125-128

Physics

33

Crystal Structure, Earth Core, Earth Planetary Structure, High Pressure, Iron, Phase Transformations, Planetary Composition, Atomic Structure, Equations Of State, Stability

Scientific paper

We examine the energetics of close-packed phases of iron (bcc, fcc, hcp) throughout the pressure regime of the earth with elaborate first principles electronic structure calculations. The calculations reproduce the relevant experimental observations including the equation of state to over 300 GPa and the pressure of the bcc to hcp phase transition. The bcc structure is found to be energetically unfavorable and mechanically unstable with respect to a tetragonal strain at high pressure (P greater than 150 GPa). This phase is thus highly unlikely to exist in the earth's inner core as has frequently been proposed.

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