The electronic thermodynamics of iron under earth core conditions

Details The electronic thermodynamics of iron under earth core conditions The electronic thermodynamics of iron under earth core conditions

Apr 1986

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1986pepi...42..227b&link_type=abstract

Physics of the Earth and Planetary Interiors (ISSN 0031-9201), vol. 42, April 1986, p. 227-240.

Physics

36

Atomic Structure, Earth Core, Iron, Thermodynamics, Close Packed Lattices, Face Centered Cubic Lattices, Hexagonal Cells, Specific Heat

Scientific paper

The linear muffin-tin orbital (LMTO) method is used to calculate the electronic band structure of iron in the epsilon-phase (hcp) and in the gamma-phase (fcc) for seven compressions from 4 to 980 GPa. The electronic specific heat is calculated for each phase by numerical integration from the resultant density of states. Previous work is thus supported for gamma-iron and extended to epsilon-iron, the most likely inner core component. A simple parameterization of the electronic specific heat is given for use in making geophysical estimates. Other thermodynamic parameters which are calculated are the electronic free energy, the thermal electronic pressure, and the electronic Gruneisen parameter. Recent studies of liquid iron and iron alloys indicate that the density of states at the Fermi level does not differ much from that calculated for pure crystalline iron. The results are cautiously applied to the outer core and it is found the electronic specific heat is 1.7 plus or minus 0.7R and the electonic Gruneisen parameter is 1.3 plus or minus 0.4. This indicates that the total heat capacity of the core is one-quarter that of the entire earth.

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