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Theoretical study of the stability of MgSiO3-perovskite in the deep mantle
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1998 (English)In: GEOPHYSICAL RESEARCH LETTERS, ISSN 0094-8276, Vol. 25, no 23, 4253-4256 p.Article in journal (Other scientific) Published
Abstract [en]

We have used theoretical methods (Full-Potential Linear-muffin-tin-orbital, FPLMTO, and lattice dynamics) to calculate the Gibbs free energy of the phases, perovskite (MgSiO3), SBAD (SiO2), stishovite (SiO2) and periclase (MgO). At 300 K, perovskite is fo

Place, publisher, year, edition, pages
AMER GEOPHYSICAL UNION , 1998. Vol. 25, no 23, 4253-4256 p.
Keyword [en]
HIGH-PRESSURE; LATTICE-DYNAMICS; BRILLOUIN-ZONE; SPECIAL POINTS; MINIMIZATION; SIMULATION; STRENGTH; SYSTEMS; SILICA; ENERGY
Identifiers
URN: urn:nbn:se:uu:diva-70203OAI: oai:DiVA.org:uu-70203DiVA: diva2:98114
Note
Addresses: Dubrovinsky L, Uppsala Univ, Inst Earth Sci, S-75235 Uppsala, Sweden. Uppsala Univ, Inst Earth Sci, S-75235 Uppsala, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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