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American Mineralogist; May 2005; v. 90; no. 5-6; p. 1008-1011; DOI: 10.2138/am.2005.1685
© 2005 Mineralogical Society of America
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Letter

Stability of the MgCO3 structures under lower mantle conditions

Natalia V. Skorodumova1,*, Anatoly B. Belonoshko2,3, Lunmei Huang1, Rajeev Ahuja1,2 and Börje Johansson1,2

1 Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, SE-751 21, Uppsala, Sweden
2 Applied Materials Physics, Department of Materials Science and Engineering, The Royal Institute of Technology, SE-100 44 Stockholm, Sweden
3 Condensed Matter Theory Group, Department of Physics, AlbaNova University Center, The Royal Institute of Technology, SE-106 91 Stockholm, Sweden

Correspondence: * E-mail: snv{at}fysik.uu.se

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.




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