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Stability of the Mg...
Stability of the MgCO3 structures under lower mantle conditions
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Skorodumova, N. V. (author)
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- Belonoshko, Anatoly B. (author)
- KTH,Kondenserade materiens teori
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Huang, L. (author)
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- Ahuja, Rajeev (author)
- KTH,Materialvetenskap
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- Johansson, Börje (author)
- KTH,Tillämpad materialfysik
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(creator_code:org_t)
- Mineralogical Society of America, 2005
- 2005
- English.
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In: American Mineralogist. - : Mineralogical Society of America. - 0003-004X .- 1945-3027. ; 90:06-maj, s. 1008-1011
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.2...
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Abstract
Subject headings
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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.
Keyword
- total-energy calculations
- augmented-wave method
- high-pressure
- carbon-dioxide
- 1st principles
- basis-set
- magnesite
- temperatures
- dynamics
- phases
Publication and Content Type
- ref (subject category)
- art (subject category)
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