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Search: L773:0003 004X OR L773:1945 3027 > (2005-2009) > Stability of the Mg...

Stability of the MgCO3 structures under lower mantle conditions

Skorodumova, N. V. (author)
Belonoshko, Anatoly B. (author)
KTH,Kondenserade materiens teori
Huang, L. (author)
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Ahuja, Rajeev (author)
KTH,Materialvetenskap
Johansson, Börje (author)
KTH,Tillämpad materialfysik
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 (creator_code:org_t)
Mineralogical Society of America, 2005
2005
English.
In: American Mineralogist. - : Mineralogical Society of America. - 0003-004X .- 1945-3027. ; 90:06-maj, s. 1008-1011
  • Journal article (peer-reviewed)
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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