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Volumn 360, Issue 1800, 2002, Pages 2507-2520

Computational mineral physics and the physical properties of perovskite

Author keywords

ab initio; Alumina; Elastic constants; Lower mantle; Perovskite

Indexed keywords

ALUMINUM; CALCIUM DERIVATIVE; OXIDE; PEROVSKITE; TITANIUM;

EID: 0037111624     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2002.1078     Document Type: Conference Paper
Times cited : (18)

References (45)
  • 1
    • 0020845492 scopus 로고
    • Chemical compostion of the mantle
    • Anderson, D. L. 1983 Chemical compostion of the mantle. J. Geophys. Res. 88, B41-B52.
    • (1983) J. Geophys. Res. , vol.88
    • Anderson, D.L.1
  • 2
    • 0031078120 scopus 로고    scopus 로고
    • Finding the isentropic density of perovskite: Implications for iron concentrations in the lower mantle
    • Anderson, O. L. 1997 Finding the isentropic density of perovskite: Implications for iron concentrations in the lower mantle. Geophys. Res. Lett. 24, 213-216.
    • (1997) Geophys. Res. Lett. , vol.24 , pp. 213-216
    • Anderson, O.L.1
  • 3
    • 0031778920 scopus 로고    scopus 로고
    • 3 perovskite using the Debye approach
    • 3 perovskite using the Debye approach. Am. Mineralogist 83, 23-35.
    • (1998) Am. Mineralogist , vol.83 , pp. 23-35
    • Anderson, O.L.1
  • 4
    • 0002822985 scopus 로고
    • Elastic constants of mantle minerals at high temperatures
    • (ed. T. J. Ahrens). AGU Reference Shelf Series. Washington, DC: American Geophysical Union
    • Anderson, O. L. & Isaak, D. G. 1995 Elastic constants of mantle minerals at high temperatures. In Mineral Physics and Crystallography (ed. T. J. Ahrens). AGU Reference Shelf Series, vol. 2, pp. 64-97. Washington, DC: American Geophysical Union.
    • (1995) Mineral Physics and Crystallography , vol.2 , pp. 64-97
    • Anderson, O.L.1    Isaak, D.G.2
  • 6
    • 0025593510 scopus 로고
    • Constraint on lower mantle composition and temperature from density and bulk sound velocity profiles
    • Bina, C. R. & Silver, P. G. 1990 Constraint on lower mantle composition and temperature from density and bulk sound velocity profiles. Geophys. Res. Lett. 17, 1153-1156.
    • (1990) Geophys. Res. Lett. , vol.17 , pp. 1153-1156
    • Bina, C.R.1    Silver, P.G.2
  • 7
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • Blochl, P. E. 1994 Projector augmented-wave method. Phys. Rev. B50, 17953-17979.
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blochl, P.E.1
  • 8
    • 0034609796 scopus 로고    scopus 로고
    • Pressure-induced changes in the compression mechanism of aluminous perovskite in the Earth's mantle
    • Brodholt, J. P. 2000 Pressure-induced changes in the compression mechanism of aluminous perovskite in the Earth's mantle. Nature 207, 620-622.
    • (2000) Nature , vol.207 , pp. 620-622
    • Brodholt, J.P.1
  • 9
    • 0344564179 scopus 로고    scopus 로고
    • Can lower mantle slab-like seismic anomalies be explained by thermal coupling between the upper and lower mantles?
    • Cizkova, H., Cadek, O., van den Berg, A. P. & Vlaar. N. J. 1999 Can lower mantle slab-like seismic anomalies be explained by thermal coupling between the upper and lower mantles? Geophys. Res. Lett. 26, 1501-1504.
    • (1999) Geophys. Res. Lett. , vol.26 , pp. 1501-1504
    • Cizkova, H.1    Cadek, O.2    Van den Berg, A.P.3    Vlaar, N.J.4
  • 10
    • 0035475063 scopus 로고    scopus 로고
    • Equation of state of Al-bearing perovskite to lower mantle pressure conditions
    • Daniel, I., Cardon, H., Fiquet, G., Guyot, F. & Mezouar, M. 2001 Equation of state of Al-bearing perovskite to lower mantle pressure conditions. Geophys. Res. Lett. 28, 3789-3792.
    • (2001) Geophys. Res. Lett. , vol.28 , pp. 3789-3792
    • Daniel, I.1    Cardon, H.2    Fiquet, G.3    Guyot, F.4    Mezouar, M.5
  • 11
    • 0000662818 scopus 로고    scopus 로고
    • First-principles study of high-pressure alumina polymorphs
    • Duan, W., Wentzcovitch, R. M. & Thomson, K. T. 1998 First-principles study of high-pressure alumina polymorphs. Phys. Rev. B57, 10363-10369.
    • (1998) Phys. Rev. B , vol.57 , pp. 10363-10369
    • Duan, W.1    Wentzcovitch, R.M.2    Thomson, K.T.3
  • 14
    • 0035953681 scopus 로고    scopus 로고
    • Deep-mantle high-viscosity flow and thermochemical structure inferred from seismic and geodynamic data
    • Forte, A. M. & Mitrovica, J. X. 2001 Deep-mantle high-viscosity flow and thermochemical structure inferred from seismic and geodynamic data. Nature 410, 1049-1056.
    • (2001) Nature , vol.410 , pp. 1049-1056
    • Forte, A.M.1    Mitrovica, J.X.2
  • 15
    • 0031504884 scopus 로고    scopus 로고
    • The virtual matter laboratory
    • Gillan, M. J. 1997 The virtual matter laboratory. Contemp. Phys. 38, 115-130.
    • (1997) Contemp. Phys. , vol.38 , pp. 115-130
    • Gillan, M.J.1
  • 16
    • 0034894344 scopus 로고    scopus 로고
    • Quantitative criteria for transferable pseudopotentials in density functional theory
    • Grinberg, I., Ramer, N. J. & Rappe, A. M. 2001 Quantitative criteria for transferable pseudopotentials in density functional theory. Phys. Rev. B63, 201102.
    • (2001) Phys. Rev. B , vol.63 , pp. 201102
    • Grinberg, I.1    Ramer, N.J.2    Rappe, A.M.3
  • 17
    • 0034776018 scopus 로고    scopus 로고
    • Thermoelastic models of minerals and the composition of the Earth's lower mantle
    • Hama, J. & Suito, K. 2001 Thermoelastic models of minerals and the composition of the Earth's lower mantle. Phys. Earth Planet. Inter. 125, 147-166.
    • (2001) Phys. Earth Planet. Inter. , vol.125 , pp. 147-166
    • Hama, J.1    Suito, K.2
  • 18
    • 0031659114 scopus 로고    scopus 로고
    • Elasticity, composition and temperature of the Earth's lower mantle: A reappraisal
    • Jackson, I. 1998 Elasticity, composition and temperature of the Earth's lower mantle: A reappraisal. Geophys. J. Int. 134, 291-311.
    • (1998) Geophys. J. Int. , vol.134 , pp. 291-311
    • Jackson, I.1
  • 19
    • 0001075154 scopus 로고
    • Density and composition of the lower mantle
    • Jeanloz, R. & Knittle, E. 1989 Density and composition of the lower mantle. Phil. Trans. R. Soc. Lond. A328, 377-389.
    • (1989) Phil. Trans. R. Soc. Lond. A , vol.328 , pp. 377-389
    • Jeanloz, R.1    Knittle, E.2
  • 20
    • 51149210200 scopus 로고
    • The density functional formulism, its applications and prospects
    • Jones, R. O. & Gunnarsson, O. 1989 The density functional formulism, its applications and prospects. Rev. Mod. Phys., 61, 689-746.
    • (1989) Rev. Mod. Phys. , vol.61 , pp. 689-746
    • Jones, R.O.1    Gunnarsson, O.2
  • 21
    • 0035171184 scopus 로고    scopus 로고
    • Origin of lateral heterogeneity of seismic wave velocities and density in the deep mantle
    • Karato, S. & Karki, B. B. 2001 Origin of lateral heterogeneity of seismic wave velocities and density in the deep mantle. J. Geophys. Res. 106, 21771-21783.
    • (2001) J. Geophys. Res. , vol.106 , pp. 21771-21783
    • Karato, S.1    Karki, B.B.2
  • 22
    • 0035204195 scopus 로고    scopus 로고
    • High-pressure elastic properties of major materials of the Earth's mantle from first principles
    • Karki, B., Stixrude, L. & Wentzcovitch, R. 2001 High-pressure elastic properties of major materials of the Earth's mantle from first principles. Rev. Geophys. 39, 507-534.
    • (2001) Rev. Geophys. , vol.39 , pp. 507-534
    • Karki, B.1    Stixrude, L.2    Wentzcovitch, R.3
  • 23
    • 0028813015 scopus 로고
    • Constraints on seismic velocities in the Earth from travel-times
    • Kennett, B. L. N., Engdahl, E. R. & Buland, R. 1995 Constraints on seismic velocities in the Earth from travel-times. Geophys. J. Int. 122, 108-124.
    • (1995) Geophys. J. Int. , vol.122 , pp. 108-124
    • Kennett, B.L.N.1    Engdahl, E.R.2    Buland, R.3
  • 24
    • 0032503488 scopus 로고    scopus 로고
    • Joint seismic tomography for bilk sound and shear wave speed in the Earth's mantle
    • Kennett, B. L. N., Widiyantoro, S. & van der Hilst 1998 Joint seismic tomography for bilk sound and shear wave speed in the Earth's mantle. J. Geophys. Res. 103, 12469-12493.
    • (1998) J. Geophys. Res. , vol.103 , pp. 12469-12493
    • Kennett, B.L.N.1    Widiyantoro, S.2    Van der Hilst3
  • 25
    • 7144223397 scopus 로고    scopus 로고
    • Mineralogy and dynamics of a pyrolite lower mantle
    • Kesson, S. E., Gerald, J. D. F. & Shelley, J. M. 1998 Mineralogy and dynamics of a pyrolite lower mantle. Nature 393, 252-255.
    • (1998) Nature , vol.393 , pp. 252-255
    • Kesson, S.E.1    Gerald, J.D.F.2    Shelley, J.M.3
  • 26
    • 0031405121 scopus 로고    scopus 로고
    • Inferences of viscosity from the oceanic geoid: Indication of a low viscosity zone below the 660 km discontinuity
    • Kido, M. & Cadek, O. 1997 Inferences of viscosity from the oceanic geoid: Indication of a low viscosity zone below the 660 km discontinuity. Earth Planet. Sci. Lett. 151, 125-137.
    • (1997) Earth Planet. Sci. Lett. , vol.151 , pp. 125-137
    • Kido, M.1    Cadek, O.2
  • 27
    • 0032507567 scopus 로고    scopus 로고
    • Mantle viscosity derived by genetic algorithm using oceanic geoid and seismic tomography for whole-mantle versus blocked-flow situations
    • Kido, M., Yuen, D. A., Cadek, O. & Nakakuki, T. 1998 Mantle viscosity derived by genetic algorithm using oceanic geoid and seismic tomography for whole-mantle versus blocked-flow situations. Earth Planet. Sci. Lett. 107, 307-326.
    • (1998) Earth Planet. Sci. Lett. , vol.107 , pp. 307-326
    • Kido, M.1    Yuen, D.A.2    Cadek, O.3    Nakakuki, T.4
  • 28
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G. & Joubert, D. 1999 From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B59, 1758-1775.
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 30
    • 85012960969 scopus 로고    scopus 로고
    • The relative behaviour of shear velocity, bulk sound speed, and compressional velocity in the mantle: Implications for chemical and thermal structure
    • Earth's deep interior: mineral physics and tomography from the atomic to the global scale.
    • Masters, G., Laske, G., Bolton, H. & Dziewonski, A. 2000 The relative behaviour of shear velocity, bulk sound speed, and compressional velocity in the mantle: Implications for chemical and thermal structure. In Earth's deep interior: mineral physics and tomography from the atomic to the global scale. AGU Monographs, vol. 117, pp. 63-87.
    • (2000) AGU Monographs , vol.117 , pp. 63-87
    • Masters, G.1    Laske, G.2    Bolton, H.3    Dziewonski, A.4
  • 31
    • 0033546361 scopus 로고    scopus 로고
    • A lesson from ceramics
    • Navrotsky, A. 1999 A lesson from ceramics. Science 284, 1788-1789.
    • (1999) Science , vol.284 , pp. 1788-1789
    • Navrotsky, A.1
  • 32
    • 0033921226 scopus 로고    scopus 로고
    • 5 system and the problem of aluminous phase in the Earth's lower mantle: Ab initio calculations
    • 5 system and the problem of aluminous phase in the Earth's lower mantle: Ab initio calculations. Phys. Chem. Miner. 27, 430-439.
    • (2000) Phys. Chem. Miner. , vol.27 , pp. 430-439
    • Oganov, A.R.1    Brodholt, J.P.2
  • 34
    • 0035927633 scopus 로고    scopus 로고
    • 3 perovskite at pressures and temperatures of the earth's mantle
    • 3 perovskite at pressures and temperatures of the earth's mantle. Nature 411, 934-937.
    • (2001) Nature , vol.411 , pp. 934-937
    • Oganov, A.R.1    Brodholt, J.P.2    Price, G.D.3
  • 36
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab-initio total energy calculations: Molecular dynamics and conjugate gradients
    • Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. & Joannopoulos, J. D. 1992 Iterative minimization techniques for ab-initio total energy calculations: Molecular dynamics and conjugate gradients. Rev. Mod. Phys. 64, 1045-1097.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045-1097
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.4    Joannopoulos, J.D.5
  • 37
    • 0003400762 scopus 로고    scopus 로고
    • Ab initio approaches to the quantum-mechanical treatment of periodic systems
    • Springer
    • Pisani, C. 1996 Ab initio approaches to the quantum-mechanical treatment of periodic systems. Lecture Notes in Chemistry, vol. 67, pp. 47-75. Springer.
    • (1996) Lecture Notes in Chemistry , vol.67 , pp. 47-75
    • Pisani, C.1
  • 38
    • 0029503885 scopus 로고
    • Evidence for proportionality of p and p heterogeneity in the lower mantle
    • Robertson, G. S. & Woodhouse, J. H. 1995 Evidence for proportionality of p and p heterogeneity in the lower mantle. Geophys. J. Int. 123, 85-116.
    • (1995) Geophys. J. Int. , vol.123 , pp. 85-116
    • Robertson, G.S.1    Woodhouse, J.H.2
  • 39
    • 0030440794 scopus 로고    scopus 로고
    • 3 perovskite and a comparison with the lower mantle
    • 3 perovskite and a comparison with the lower mantle. Phys. Earth Planet. Inter. 98, 65-77.
    • (1996) Phys. Earth Planet. Inter. , vol.98 , pp. 65-77
    • Stacey, F.D.1
  • 40
    • 0027063822 scopus 로고
    • Thermoelasticity of silicate perovskite and magnesiowüstite and stratification in the Earth's mantle
    • Stixrude, L., Hemley, R. J., Fei, Y. & Mao, H. K. 1992 Thermoelasticity of silicate perovskite and magnesiowüstite and stratification in the Earth's mantle. Science 257, 1099-1101.
    • (1992) Science , vol.257 , pp. 1099-1101
    • Stixrude, L.1    Hemley, R.J.2    Fei, Y.3    Mao, H.K.4
  • 42
    • 2742557720 scopus 로고    scopus 로고
    • First principles calculations on crystalline and liquid iron at Earth's core conditions
    • Vočadlo, L., de Wijs, G., Kresse, G., Gillan, M. J. & Price, G. D. 1997 First principles calculations on crystalline and liquid iron at Earth's core conditions. Faraday Discuss. 106, 205-217.
    • (1997) Faraday Discuss. , vol.106 , pp. 205-217
    • Vočadlo, L.1    De Wijs, G.2    Kresse, G.3    Gillan, M.J.4    Price, G.D.5
  • 43
    • 0028558157 scopus 로고
    • Synthesis and re-investigation of the elastic properties of single-crystal magnesium silicate perovskite
    • Yeganeh-Haeri, A. 1994 Synthesis and re-investigation of the elastic properties of single-crystal magnesium silicate perovskite. Phys. Earth Planet. Inter. 87, 111-121.
    • (1994) Phys. Earth Planet. Inter. , vol.87 , pp. 111-121
    • Yeganeh-Haeri, A.1
  • 44
    • 0027835557 scopus 로고
    • Some effects of lateral viscosity variations on geoid and surface velocities induced by density anomalies in the mantle
    • Zhang, S. X. & Christensen, U. 1993 Some effects of lateral viscosity variations on geoid and surface velocities induced by density anomalies in the mantle. Geophys. J. Int. 114, 531-547.
    • (1993) Geophys. J. Int. , vol.114 , pp. 531-547
    • Zhang, S.X.1    Christensen, U.2
  • 45
    • 0033617479 scopus 로고    scopus 로고
    • Thermal equation of state of aluminium-enriched silicate perovskite
    • Zhang, J. & Weidner, D. J. 1999 Thermal equation of state of aluminium-enriched silicate perovskite. Science 284, 782-784.
    • (1999) Science , vol.284 , pp. 782-784
    • Zhang, J.1    Weidner, D.J.2


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