Thermodynamic properties and stability field of MgSiO3 post-perovskite

Renata M. Wentzcovitch, Koichiro Umemoto, Taku Tsuchiya, Jun Tsuchiya

Research output: Chapter in Book/Report/Conference proceedingChapter

3 Scopus citations

Abstract

A high-pressure phase transition in iron free MgSiO3 perovskite (pv), the most abundant Earth forming mineral phase, was discovered and reported in 2003-2004. A subsequent dissociation transition in the newly found polymorph was predicted in 2006. Here, we summarize our theoretical and computational studies of these phase transitions and of the physical properties of the newly found postperovskite (ppv) and post-ppv phases. Our approach is based on density functional theory, on the plane-wave pseudopotential method, and on quasiharmonic free energy computations. We focus here on the structural, vibrational, and thermodynamic properties, and on the stability field of the ppv phase. The predicted Clapeyron slope of the ppv transition and several properties of the ppv phase strongly suggest that this is an important candidate for a primary constituent in D″. We also review the post-ppv transition and the properties of the resulting aggregate. They are important for modeling and advancing our understanding of the mantle of terrestrial exoplanets and of the gas giants’ cores.

Original languageEnglish (US)
Title of host publicationPost-Perovskite
Subtitle of host publicationThe Last Mantle Phase Transition, 2007
EditorsThorne Lay, Kei Hirose, David Yuen, John Brodholt
PublisherBlackwell Publishing Ltd
Pages79-97
Number of pages19
ISBN (Electronic)9781118666401
ISBN (Print)9780875904399
DOIs
StatePublished - Jan 1 2007

Publication series

NameGeophysical Monograph Series
Volume174
ISSN (Print)0065-8448
ISSN (Electronic)2328-8779

Bibliographical note

Publisher Copyright:
© 2007 by the American Geophysical Union.

Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.

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