Water partitioning between Fe-containing bridgmanite and post-perovskite

Description

1. Equation of state (EOS) of bridgmanite and post-perovskite. 2. Phase transition of bridgmanite (anhydrous and hydrous).

Steps to reproduce

We performed all calculations using first-principles density functional theory within the framework of generalized gradient approximation (PAW-PBE). Finite-temperature effects were incorporated through quasi-harmonic approximation (QHA).

Institutions

• Indian Institute of Science Education and Research Kolkata

  West Bengal, Kolkata

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