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Volumn 110, Issue 3-4, 1999, Pages 191-210

Oxygen in the Earth's core: A first-principles study

Author keywords

Earth; First principles; Oxygen

Indexed keywords

CORE (PLANETARY); INNER CORE; OUTER CORE; OXYGEN;

EID: 0033540354     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0031-9201(98)00134-4     Document Type: Article
Times cited : (55)

References (64)
  • 1
    • 0006585332 scopus 로고
    • Is the mantle soluble in the core?
    • Alder B.J. Is the mantle soluble in the core? J. Geophys. Res. 71:1966;4973-4979.
    • (1966) J. Geophys. Res. , vol.71 , pp. 4973-4979
    • Alder, B.J.1
  • 2
    • 0000167677 scopus 로고    scopus 로고
    • First-principles simulations of liquid Fe-S under Earth's core conditions
    • Alfè D., Gillan M.J. First-principles simulations of liquid Fe-S under Earth's core conditions. Phys. Rev. B. 58:1998;8248-8256.
    • (1998) Phys. Rev. B , vol.58 , pp. 8248-8256
    • Alfè, D.1    Gillan, M.J.2
  • 3
    • 0000938814 scopus 로고    scopus 로고
    • The first-principles calculation of transport coefficient
    • in press
    • Alfè, D., Gillan, M.J., 1998b. The first-principles calculation of transport coefficient. Phys. Rev. Lett., in press.
    • (1998) Phys. Rev. Lett.
    • Alfè, D.1    Gillan, M.J.2
  • 5
    • 35949041507 scopus 로고
    • Structural aspects of the electrical resistivity of binary alloys
    • Bhatia A.B., Thornton D.E. Structural aspects of the electrical resistivity of binary alloys. Phys. Rev. B. 2:1970;3004-3012.
    • (1970) Phys. Rev. B , vol.2 , pp. 3004-3012
    • Bhatia, A.B.1    Thornton, D.E.2
  • 6
    • 0001261361 scopus 로고
    • Elasticity and composition of the Earth's interior
    • Birch F. Elasticity and composition of the Earth's interior. J. Geophys. Res. 57:1952;227-286.
    • (1952) J. Geophys. Res. , vol.57 , pp. 227-286
    • Birch, F.1
  • 7
    • 0001288488 scopus 로고
    • Density and composition of mantle and core
    • Birch F. Density and composition of mantle and core. J. Geophys. Res. 69:1964;4377-4388.
    • (1964) J. Geophys. Res. , vol.69 , pp. 4377-4388
    • Birch, F.1
  • 8
    • 0027449638 scopus 로고
    • Temperature in the Earth's core from melting-point measurements of iron at high static pressures
    • Boehler R. Temperature in the Earth's core from melting-point measurements of iron at high static pressures. Nature. 363:1993;534-536.
    • (1993) Nature , vol.363 , pp. 534-536
    • Boehler, R.1
  • 9
    • 0038966416 scopus 로고
    • Cores of terrestrial planets
    • Bullen K.E. Cores of terrestrial planets. Nature. 243:1973;68-70.
    • (1973) Nature , vol.243 , pp. 68-70
    • Bullen, K.E.1
  • 10
    • 4243606192 scopus 로고
    • Unified approach for molecular-dynamics and density-functional theory
    • Car R., Parrinello M. Unified approach for molecular-dynamics and density-functional theory. Phys. Rev. Lett. 55:1985;2471-2474.
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 11
    • 0343399840 scopus 로고
    • Variation of density in the Earth and the melting curve in the mantle
    • In: Donnelly, T.W. (Ed.) University of Chicago Press, Chicago
    • Clark, S.P., 1963. Variation of density in the Earth and the melting curve in the mantle. In: Donnelly, T.W. (Ed.), The Earth Sciences. University of Chicago Press, Chicago.
    • (1963) The Earth Sciences
    • Clark, S.P.1
  • 12
    • 0001450831 scopus 로고    scopus 로고
    • First order phase transitions by first-principles free energy calculations: The melting of Al
    • de Wijs G.A., Kresse G., Gillan M.J. First order phase transitions by first-principles free energy calculations: the melting of Al. Phys. Rev. B. 57:1998;8223-8234.
    • (1998) Phys. Rev. B , vol.57 , pp. 8223-8234
    • De Wijs, G.A.1    Kresse, G.2    Gillan, M.J.3
  • 14
    • 0014995881 scopus 로고
    • Solubility of oxygen in liquid iron from 1785° to 1960°. A new technique for the study of slag-metal equilibria
    • Distin P.A., Whiteway S., Masson C. Solubility of oxygen in liquid iron from 1785° to 1960°. A new technique for the study of slag-metal equilibria. Can. Met. Q. 10:1971;13-18.
    • (1971) Can. Met. Q. , vol.10 , pp. 13-18
    • Distin, P.A.1    Whiteway, S.2    Masson, C.3
  • 16
    • 0018006442 scopus 로고
    • Die Sättigungslöslichkeit von Reineisen an Saurstoff vom Schmelzpunkt bis 2046°C, ermittelt mit dem Schwebeschmelzverfahren
    • Fischer W.A., Schumacher J.F. Die Sättigungslöslichkeit von Reineisen an Saurstoff vom Schmelzpunkt bis 2046°C, ermittelt mit dem Schwebeschmelzverfahren. Arch. Eisenhüttenwes. 49:1978;431-435.
    • (1978) Arch. Eisenhüttenwes. , vol.49 , pp. 431-435
    • Fischer, W.A.1    Schumacher, J.F.2
  • 17
    • 0342964598 scopus 로고
    • Fundamental aspects in the bonding of transition metals
    • In: Ziman, J. (Ed.), Cambridge Univ. Press, Cambridge, 494 pp.
    • Friedel, J., 1969. Fundamental aspects in the bonding of transition metals. In: Ziman, J. (Ed.), The Physics of Metals. Cambridge Univ. Press, Cambridge, 494 pp.
    • (1969) The Physics of Metals
    • Friedel, J.1
  • 19
    • 0031504884 scopus 로고    scopus 로고
    • The virtual matter laboratory
    • Gillan M.J. The virtual matter laboratory. Contemp. Phys. 38:1997;115-130.
    • (1997) Contemp. Phys. , vol.38 , pp. 115-130
    • Gillan, M.J.1
  • 20
    • 0026472173 scopus 로고
    • High-pressure and high-temperature reactions between silicates and liquid iron alloys in the diamond anvil cell, studied by analytical electron microscopy
    • Goarant F., Guyot F., Peyronneau J., Poirier J.-P. High-pressure and high-temperature reactions between silicates and liquid iron alloys in the diamond anvil cell, studied by analytical electron microscopy. J. Geophys. Res. 97:1992;4477-4487.
    • (1992) J. Geophys. Res. , vol.97 , pp. 4477-4487
    • Goarant, F.1    Guyot, F.2    Peyronneau, J.3    Poirier, J.-P.4
  • 21
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg P., Kohn W. Inhomogeneous electron gas. Phys. Rev. 136:1964;B864-B871.
    • (1964) Phys. Rev. , vol.136 , pp. 864-B871
    • Hohenberg, P.1    Kohn, W.2
  • 22
    • 0000777906 scopus 로고    scopus 로고
    • Composition dependence of the structure and electronic properties of liquid Ga-Se alloys studied by ab initio molecular dynamics simulation
    • Holender J.M., Gillan M.J. Composition dependence of the structure and electronic properties of liquid Ga-Se alloys studied by ab initio molecular dynamics simulation. Phys. Rev. B. 53:1996;4399.
    • (1996) Phys. Rev. B , vol.53 , pp. 4399
    • Holender, J.M.1    Gillan, M.J.2
  • 23
    • 51149210200 scopus 로고
    • The density functional formalism, its applications and prospects
    • Jones R.O., Gunnarsson O. The density functional formalism, its applications and prospects. Rev. Mod. Phys. 61:1989;689-746.
    • (1989) Rev. Mod. Phys. , vol.61 , pp. 689-746
    • Jones, R.O.1    Gunnarsson, O.2
  • 24
    • 0000589736 scopus 로고    scopus 로고
    • The structure, dynamics and electronic structure of liquid Ag-Se alloys investigated by ab initio simulation
    • Kirchhoff F., Holender J.M., Gillan M.J. The structure, dynamics and electronic structure of liquid Ag-Se alloys investigated by ab initio simulation. Phys. Rev. B. 54:1996;190-202.
    • (1996) Phys. Rev. B , vol.54 , pp. 190-202
    • Kirchhoff, F.1    Holender, J.M.2    Gillan, M.J.3
  • 26
    • 0026064863 scopus 로고
    • Earth's core-mantle boundary: Results of experiments at high pressures and temperatures
    • Knittle E., Jealnoz R. Earth's core-mantle boundary: results of experiments at high pressures and temperatures. Science. 251:1991;1438-1443.
    • (1991) Science , vol.251 , pp. 1438-1443
    • Knittle, E.1    Jealnoz, R.2
  • 27
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W., Sham L. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140:1965;A1133-A1138.
    • (1965) Phys. Rev. , vol.140 , pp. 1133-A1138
    • Kohn, W.1    Sham, L.2
  • 28
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total-energy calculations for metals and semiconductors using a plane-wave basis-set
    • Kresse G., Furthmüller J. Efficiency of ab-initio total-energy calculations for metals and semiconductors using a plane-wave basis-set. Comput. Mater. Sci. 6:1996;15-50.
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab-initio total-energy calculations using a plane-wave basis-set
    • Kresse G., Furthmüller J. Efficient iterative schemes for ab-initio total-energy calculations using a plane-wave basis-set. Phys. Rev. B. 54:1996;11169-11186.
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 30
    • 35949007146 scopus 로고
    • Ab-initio molecular-dynamics for open-shell transition-metals
    • Kresse G., Hafner J. Ab-initio molecular-dynamics for open-shell transition-metals. Phys. Rev. B. 48:1993;13115-13118.
    • (1993) Phys. Rev. B , vol.48 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 32
    • 0001407405 scopus 로고
    • Chemistry of the planets
    • Lewis J.S. Chemistry of the planets. Annu. Rev. Phys. Chem. 24:1973;339-351.
    • (1973) Annu. Rev. Phys. Chem. , vol.24 , pp. 339-351
    • Lewis, J.S.1
  • 33
    • 0000549623 scopus 로고
    • Non-linear ionic pseudopotentials in spin-density-functional calculations
    • Louie S.G., Froyen S., Cohen M.L. Non-linear ionic pseudopotentials in spin-density-functional calculations. Phys. Rev. B. 26:1982;1738-1742.
    • (1982) Phys. Rev. B , vol.26 , pp. 1738-1742
    • Louie, S.G.1    Froyen, S.2    Cohen, M.L.3
  • 34
    • 0042009247 scopus 로고
    • The chemical composition of the outer core
    • MacDonald G.J.F., Knopoff L. The chemical composition of the outer core. J. Geophys. 1:1958;1751-1756.
    • (1958) J. Geophys. , vol.1 , pp. 1751-1756
    • MacDonald, G.J.F.1    Knopoff, L.2
  • 35
    • 0001577384 scopus 로고
    • Composition of the Earth
    • Mason B. Composition of the Earth. Nature. 211:1966;616-618.
    • (1966) Nature , vol.211 , pp. 616-618
    • Mason, B.1
  • 36
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst H.J., Pack J.D. Special points for Brillouin-zone integrations. Phys. Rev. B. 13:1976;5188-5192.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 37
    • 49849109981 scopus 로고
    • On the possible presence of sulfur in the Earth's core
    • Murthy V., Hall H.T. On the possible presence of sulfur in the Earth's core. Phys. Earth Planet. Interiors. 2:1970;276-282.
    • (1970) Phys. Earth Planet. Interiors , vol.2 , pp. 276-282
    • Murthy, V.1    Hall, H.T.2
  • 38
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulations in the canonical ensemble
    • Nosé S. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys. 52:1984;255-268.
    • (1984) Mol. Phys. , vol.52 , pp. 255-268
    • Nosé, S.1
  • 39
    • 0021283213 scopus 로고
    • Composition of the core: I. Solubility of oxygen in molten iron at high temperatures
    • Ohtani E., Ringwood A.E. Composition of the core: I. Solubility of oxygen in molten iron at high temperatures. Earth Planet. Sci. Lett. 71:1984;85-93.
    • (1984) Earth Planet. Sci. Lett. , vol.71 , pp. 85-93
    • Ohtani, E.1    Ringwood, A.E.2
  • 40
    • 0021283215 scopus 로고
    • Composition of the core: II. Effect of high pressure on solubility of FeO in molten iron
    • Ohtani E., Ringwood A.E., Hibberson W. Composition of the core: II. Effect of high pressure on solubility of FeO in molten iron. Earth Planet. Sci. Lett. 71:1984;94-103.
    • (1984) Earth Planet. Sci. Lett. , vol.71 , pp. 94-103
    • Ohtani, E.1    Ringwood, A.E.2    Hibberson, W.3
  • 43
    • 0028585511 scopus 로고
    • Light elements in the Earth's outer core: A critical review
    • Poirier J.-P. Light elements in the Earth's outer core: a critical review. Phys. Earth Planet. Interiors. 85:1994;319-337.
    • (1994) Phys. Earth Planet. Interiors , vol.85 , pp. 319-337
    • Poirier, J.-P.1
  • 44
    • 84986524957 scopus 로고
    • Convergence acceleration of iterative sequences. The case of SCF iteration
    • Pulay P. Convergence acceleration of iterative sequences. The case of SCF iteration. Chem. Phys. Lett. 73:1980;393.
    • (1980) Chem. Phys. Lett. , vol.73 , pp. 393
    • Pulay, P.1
  • 45
    • 0006012271 scopus 로고
    • On the chemical evolution and densities of the planets
    • Ringwood A.E. On the chemical evolution and densities of the planets. Geochem. J. 15:1959;257-283.
    • (1959) Geochem. J. , vol.15 , pp. 257-283
    • Ringwood, A.E.1
  • 46
    • 0005005031 scopus 로고
    • Silicon in the metal phase of enstatitie chondrites and some geochemical implications
    • Ringwood A.E. Silicon in the metal phase of enstatitie chondrites and some geochemical implications. Geochim. Cosmochim. Acta. 25:1961;1-13.
    • (1961) Geochim. Cosmochim. Acta , vol.25 , pp. 1-13
    • Ringwood, A.E.1
  • 47
    • 0002925828 scopus 로고
    • Chemical evolution of the terrestrial planets
    • Ringwood A.E. Chemical evolution of the terrestrial planets. Geochim. Cosmochim. Acta. 30:1966;41-104.
    • (1966) Geochim. Cosmochim. Acta , vol.30 , pp. 41-104
    • Ringwood, A.E.1
  • 48
    • 85004388135 scopus 로고
    • On the composition of the core and implications for the origin of the Earth
    • Ringwood A.E. On the composition of the core and implications for the origin of the Earth. Geochim. Cosmochim. Acta. 11:1977;111-135.
    • (1977) Geochim. Cosmochim. Acta , vol.11 , pp. 111-135
    • Ringwood, A.E.1
  • 51
    • 0028844941 scopus 로고
    • Stability of possible Fe-FeS and Fe-FeO alloy phases at high pressure and the composition of the Earth's core
    • Sherman D.M. Stability of possible Fe-FeS and Fe-FeO alloy phases at high pressure and the composition of the Earth's core. Earth Planet. Sci. Lett. 132:1995;87-98.
    • (1995) Earth Planet. Sci. Lett. , vol.132 , pp. 87-98
    • Sherman, D.M.1
  • 53
    • 2142648056 scopus 로고    scopus 로고
    • First-principles theory of iron up to the Earth's core pressures: Structural, vibrational, and elastic properties
    • Söderlind P., Moriarty J.A., Wills J.M. First-principles theory of iron up to the Earth's core pressures: structural, vibrational, and elastic properties. Phys. Rev. B. 53:1996;14063-14072.
    • (1996) Phys. Rev. B , vol.53 , pp. 14063-14072
    • Söderlind, P.1    Moriarty, J.A.2    Wills, J.M.3
  • 54
    • 26344466158 scopus 로고
    • Bonding and disorder in liquid silicon
    • Štich I., Car R., Parrinello M. Bonding and disorder in liquid silicon. Phys. Rev. Lett. 63:1989;2240-2243.
    • (1989) Phys. Rev. Lett. , vol.63 , pp. 2240-2243
    • Štich, I.1    Car, R.2    Parrinello, M.3
  • 55
    • 0001345875 scopus 로고
    • Iron at high pressure: Linearized-augmented-plane-wave computation in the generalized-gradient approximation
    • Stixrude L., Cohen R.E., Singh D.J. Iron at high pressure: linearized-augmented-plane-wave computation in the generalized-gradient approximation. Phys. Rev. B. 50:1994;6442-6445.
    • (1994) Phys. Rev. B , vol.50 , pp. 6442-6445
    • Stixrude, L.1    Cohen, R.E.2    Singh, D.J.3
  • 56
    • 0000207728 scopus 로고
    • Ab-initio molecular-dynamics study of first-order phase-transitions. Melting of silicon
    • Sugino O., Car R. Ab-initio molecular-dynamics study of first-order phase-transitions. Melting of silicon. Phys. Rev. Lett. 74:1995;1823-1826.
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 1823-1826
    • Sugino, O.1    Car, R.2
  • 57
    • 0024927235 scopus 로고
    • Metal-silicate-water reaction under high pressure: I. Formation of metal hydride and implications for composition of the core and mantle
    • Suzuki T., Akimoto S., Yagi T. Metal-silicate-water reaction under high pressure: I. Formation of metal hydride and implications for composition of the core and mantle. Phys. Earth Planet. Interiors. 56:1989;377-388.
    • (1989) Phys. Earth Planet. Interiors , vol.56 , pp. 377-388
    • Suzuki, T.1    Akimoto, S.2    Yagi, T.3
  • 58
    • 0342530351 scopus 로고
    • On the chemical evolution and densities of the planets
    • Urey H.C. On the chemical evolution and densities of the planets. Geochim. Cosmochim. Acta. 18:1960;151-153.
    • (1960) Geochim. Cosmochim. Acta , vol.18 , pp. 151-153
    • Urey, H.C.1
  • 59
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B. 41:1990;7892-7895.
    • (1990) Phys. Rev. B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 60
    • 22944467757 scopus 로고
    • Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules
    • Verlet L. Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 159:1967;98-103.
    • (1967) Phys. Rev. , vol.159 , pp. 98-103
    • Verlet, L.1
  • 61
    • 2742557720 scopus 로고    scopus 로고
    • First-principles calculations on crystalline and liquid iron at Earth's core conditions
    • Vočadlo L., de Wijs G.A., Kresse G., Gillan M.J., Price G.D. First-principles calculations on crystalline and liquid iron at Earth's core conditions. Faraday Discuss. 106:1997;205-217.
    • (1997) Faraday Discuss. , vol.106 , pp. 205-217
    • Vočadlo, L.1    De Wijs, G.A.2    Kresse, G.3    Gillan, M.J.4    Price, G.D.5
  • 62
    • 0000620927 scopus 로고
    • Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling
    • Wang Y., Perdew J. Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling. Phys. Rev. B. 44:1991;13298-13307.
    • (1991) Phys. Rev. B , vol.44 , pp. 13298-13307
    • Wang, Y.1    Perdew, J.2


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