Abstract
AbstractCa‐perovskite (Pv) is considered to be one of the most abundant minerals in the Earth's lower mantle (LM) with an ideal cubic structure at LM pressures and temperatures. In this study, a pressure‐volume‐temperature (P‐V‐T) equation of state model for Ca‐Pv is constructed using density functional first‐principles molecular dynamics simulations. The calculated P‐V‐T data yield = 203.95 GPa, = 46.17 Å3/formula unit, γ0 = 1.576, and q = 0.96 within the framework of the Mie–Grüneisen–Debye formulation. We compare the density and bulk sound velocity of Ca‐Pv with those of iron‐bearing Mg‐Pv and seismological values. Along an adiabatic temperature gradient, Ca‐Pv has ~2.5% higher density and ~0.7% faster bulk sound velocity than the preliminary reference Earth model, while it has ~3.8% higher density and ~2.7% slower bulk sound velocity than iron‐bearing Mg‐Pv. Our results indicate that a possible lateral variation in the Ca‐Pv fraction in the LM could produce an anticorrelation between VΦ and ρ.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
