67
Views
3
CrossRef citations to date
0
Altmetric
Ab-initio Calculations

An ab initio study of S-substituted iron–nickel–silicon alloy at the Earth's inner core pressure

, , , &
Pages 437-441 | Received 16 Jun 2008, Published online: 16 Dec 2008

References

  • McDonough , W. F. 2004 . “ Compositional model for the Earth's core, Treatise on Geochemistry ” . Edited by: Holland , H. D. and Turrekian , K. K. Vol. 2 , 547 – 568 . Elsevier, , Amsterdam, The Netherlands
  • Allègre , C. J. , Poirier , J.-P. , Humler , E. and Hofmann , A. W. 1995 . The chemical composition of the earth . Earth Planet. Sci. Lett , 134 : 515 – 526 .
  • Steinle-Neumann , G. , Stixrude , L. , Cohen , R. E. and Gulseren , O. 2001 . Elasticity of iron at the temperature of the Earth's inner core . Nature , 413 : 57 – 60 .
  • Belonoshko , A. B. , Ahuja , R. and Johansson , B. 2003 . Stability of the body-centred-cubic phase of iron in the Earth's inner core . Nature , 424 : 1032 – 1034 .
  • Dubrovinsky , L. , Dubrovinskaia , N. , Narygina , O. , Kantor , I. , Kuznetzov , A. , Prakapenka , V. B. , Vitos , L. , Johansson , B. , Mikhaylushkin , A. S. , Simak , S. I. and Abrikosov , I. A. 2007 . Body-centered cubic iron-nickel alloy in Earth's core . Science , 316 : 1880 – 1883 .
  • Birch , F. 1952 . Elasticity and constiution of the Earth's interior . J. Geophys. Res , 57 : 227 – 286 .
  • Vočadlo , L. , Brodholt , J. , Dobson , D. P. , Knight , K. S. , Marshall , W. G. , Price , G. D. and Wood , I. G. 2002 . The effect of ferromagnetism on the equation of state of Fe3C studied by first-principles calculations . Earth Planet. Sci. Lett , 203 : 567 – 575 .
  • Alfè , D. , Gillan , M. J. and Price , G. D. 2002 . Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core . J. Chem. Phys , 116 : 7127 – 7136 .
  • Wood , B. J. , Walter , M. J. and Wade , J. 2006 . Accretion of the Earth and segregation of its core . Nature , 441 : 825 – 833 .
  • McDonough , W. F. 2003 . “ The Mantle and Core ” . Edited by: Carlson , R. W. 547 – 568 . Elsevier, Pergamon, Oxford
  • Lin , J.-F. , Heinz , D. L. , Campbell , A. J. , Devine , J. M. and Shen , G. Y. 2002 . Iron-silicon alloy in Earth's core? . Science , 295 : 313 – 315 .
  • Vočcadlo , L. , Alfè , D. , Gillan , M. J. , Wood , I. G. , Brodholt , J. P. and Price , G. D. 2003 . Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core . Nature , 424 : 536 – 539 .
  • Cote , A. S. , Vočcadlo , L. and Brodholt , J. P. 2008 . Light elements in the core: Effects of impurities on the phase diagram of iron . Geoph. Res. Lett , 35 : L05306 – L05310 .
  • Andersen , O. K. , Jepsen , O. and Krier , G. 1994 . “ Lectures on Methods of Electronic Structure Calculations ” . Edited by: Kumar , V. , Andersen , O. K. and Moorkerjee , A. 63 – 124 . Singapore : World Scientific .
  • Vitos , L. 2001), 014107 . Total-energy method based on the exact muffin-tin orbitals theory . Phys. Rev. B , 64
  • Hohenberg , P. and Kohn , W. 1964 . Inhomogeneous electron gas . Phys. Rev. B , 136 : 864 – 871 .
  • Perdew , J. P. , Burke , S. and Ernzerhof , M. 1996 . Generalized Gradient Approximation Made Simple . Phys. Rev. Lett , 77 : 3865 – 3868 .
  • Vitos , L. , Skriver , H. L. , Johansson , B. and Kollár , J. 2000 . Application of the exact muffin-tin orbitals theory: the spherical cell approximation . Comput. Mater. Sci , 18 : 24 – 38 .
  • Vitos , L. , Abrikosov , I. A. and Johansson , B. 2001 . Anisotropic lattice distortions in random alloys from first-principles theory . Phys. Rev. Lett , 87 : 156 – 401 .
  • Taga , A. , Vitos , L. , Johansson , B. and Grimvall , G. 2005 . Ab initio calculation of the elastic properties of Al1−x Li random alloys . Phys. Rev. B , 71 : 014201
  • Singman , C. N. 1984 . Atomic volume and allotropy of the elements . J. Chem. Ed , 61 : 137 – 142 .
  • Vočcadlo , L. , Dobson , D. P. and Wood , I. G. 2006 . An ab initio study of nickel substitution into iron . Earth Planet. Sci. Lett , 248 : 147 – 152 .
  • M. Mattesini, E. Buforn, A. Udías, L. Vitos, and R. Ahuja, to be published.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.