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Phase transformations between garnet and perovskite phases in the Earth's mantle: A theoretical study
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-2832-3293
Condensed Matter Theory Group, Physics Department, Uppsala University.
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2006 (English)In: Physics of the Earth and Planetary Interiors, ISSN 0031-9201, E-ISSN 1872-7395, Vol. 156, no 1-2, 108-116 p.Article in journal (Refereed) Published
Abstract [en]

Using first-principles theories, we show that the stability of garnet and perovskite phases in an Al-free system is strongly influenced by both pressure and temperature, giving rise to a sequence of phase changes. Around 17 +/- 3 GPa pressure, the (Mg1-yCay)(3)(MgSi)Si3O12 majorite garnet dissociates into Ca- and Mg-perovskites. This divariant transition is associated with structural, density and elastic changes, and for y approximate to 0. 13 it has a width of similar to 0.6 GPa. In CaSiO3 Plus MgSiO3 aggregate, a (Mg, Ca)SiO3 solid solution with an intermediate orthorhombic perovskite structure can be formed. The (Mg1-xCax)SiO3 solid solution with x approximate to 0.04-0.06 is calculated to be stable at the transition zone base and uppermost lower mantle conditions, and with increasing pressure it separates into perovskite end-members. The pressure-temperature stability limit for the perovskite solid solutions is close to the mantle geotherms, suggesting the appearance of structural and chemical inhomogeneities driven by temperature anomalies within the Earth's lower mantle.

Place, publisher, year, edition, pages
2006. Vol. 156, no 1-2, 108-116 p.
Keyword [en]
Earth's lower mantle, majorite garnet, Ca-perovskite, Mg-perovskite, perovskite solid solutions, seismic inhomogeneity, density functional, calculation, casio3 perovskite, mgsio3 perovskite, seismic discontinuities, electron-microscopy, ab-initio, stability, transition, pressure, state, deep
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-15749DOI: 10.1016/j.pepi.2006.02.004ISI: 000238297400008ScopusID: 2-s2.0-33646562202OAI: diva2:333791
QC 20100525 QC 20120301Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2012-03-01Bibliographically approved

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Vitos, LeventeAhuja, RajeevGrimvall, GöranJohansson, Börje
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