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- Skorodumova, N. V. (author)
Stability of the MgCO3 structures under lower mantle conditions
- Article/chapterEnglish2005
Publisher, publication year, extent ...
- Mineralogical Society of America,2005
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-14772
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-14772URI
- https://doi.org/10.2138/am.2005.1685DOI
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- Language:English
- Summary in:English
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Notes
- QC 20100525
- 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
- total-energy calculations
- augmented-wave method
- high-pressure
- carbon-dioxide
- 1st principles
- basis-set
- magnesite
- temperatures
- dynamics
- phases
Added entries (persons, corporate bodies, meetings, titles ...)
- Belonoshko, Anatoly B.KTH,Kondenserade materiens teori(Swepub:kth)u14jwox1 (author)
- Huang, L. (author)
- Ahuja, RajeevKTH,Materialvetenskap(Swepub:kth)u1l4ct57 (author)
- Johansson, BörjeKTH,Tillämpad materialfysik(Swepub:kth)u13m8u34 (author)
- KTHKondenserade materiens teori (creator_code:org_t)
Related titles
- In:American Mineralogist: Mineralogical Society of America90:06-maj, s. 1008-10110003-004X1945-3027
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