Data for: Iron Valence and Partitioning between Post-Perovskite and Ferropericlase in the Earth’s Lowermost Mantle
Published: 29 July 2018| Version 1 | DOI: 10.17632/3z7ngngj9z.1
Martha A. Gialampouki
All input and output files of the work and the code that minimizes the free energy are in this Dataset. The free energy code is referred to the Al-bearing Post-Perovskite at 100GPa under lower mantle conditions (low oxygen fugacity).
Geophysics, Computational Materials Science, DFT Method Application