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Stability of the Mg...
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Skorodumova, N. V.
(author)
Stability of the MgCO3 structures under lower mantle conditions
- Article/chapterEnglish2005
Publisher, publication year, extent ...
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Mineralogical Society of America,2005
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:kth-14772
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-14772URI
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https://doi.org/10.2138/am.2005.1685DOI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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QC 20100525
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The presence of carbon in the Earth makes the search for high-pressure carbon-containing phases essential for our understanding of mineral compositions of the Earth's mantle. In a recent study Isshiki et al. (2004) demonstrated that magnesite transforms into a new phase at lower mantle pressures. However, the structure of the emerging phase remained unknown. Here we show, by means of first principles calculations, that MgCO3 magnesite can transform into a pyroxene structure at 113 GPa, which further transforms into a CaTiO3-type structure at about 200 GPa.
Subject headings and genre
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total-energy calculations
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augmented-wave method
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high-pressure
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carbon-dioxide
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1st principles
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basis-set
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magnesite
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temperatures
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dynamics
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phases
Added entries (persons, corporate bodies, meetings, titles ...)
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Belonoshko, Anatoly B.KTH,Kondenserade materiens teori(Swepub:kth)u14jwox1
(author)
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Huang, L.
(author)
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Ahuja, RajeevKTH,Materialvetenskap(Swepub:kth)u1l4ct57
(author)
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Johansson, BörjeKTH,Tillämpad materialfysik(Swepub:kth)u13m8u34
(author)
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KTHKondenserade materiens teori
(creator_code:org_t)
Related titles
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In:American Mineralogist: Mineralogical Society of America90:06-maj, s. 1008-10110003-004X1945-3027
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