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Volumn 155, Issue 3-4, 2006, Pages 249-259

Elasticity of CaSiO3 perovskite at high pressure and high temperature

Author keywords

CaSiO3 perovskite; Elastic constants; Equations of state; Gru combining double acute accent neisen parameters; Lower mantle; Thermal expansion; Thermoelastic properties

Indexed keywords

ACOUSTIC WAVE VELOCITY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; ELASTIC MODULI; EQUATIONS OF STATE OF SOLIDS; HYDROSTATIC PRESSURE; MOLECULAR DYNAMICS; THERMAL EXPANSION; THERMOELASTICITY;

EID: 33747504600     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pepi.2005.12.006     Document Type: Article
Times cited : (95)

References (51)
  • 2
    • 0033115287 scopus 로고    scopus 로고
    • Ab-initio molecular dynamics, a simple algorithm for charge extrapolation
    • Alfè D. Ab-initio molecular dynamics, a simple algorithm for charge extrapolation. Comput. Phys. Commun. 118 (1999) 31-33
    • (1999) Comput. Phys. Commun. , vol.118 , pp. 31-33
    • Alfè, D.1
  • 3
    • 0000078999 scopus 로고    scopus 로고
    • Structure and dynamics of iron under Earth's core conditions
    • Alfe D., Kresse G., and Gillan M. Structure and dynamics of iron under Earth's core conditions. Phys. Rev. B 61 (2000) 132
    • (2000) Phys. Rev. B , vol.61 , pp. 132
    • Alfe, D.1    Kresse, G.2    Gillan, M.3
  • 5
    • 0026446660 scopus 로고
    • Calculation of elastic properties from thermodynamic equation of state principles
    • Bina C.R., and Helffrich G.R. Calculation of elastic properties from thermodynamic equation of state principles. Annu. Rev. Earth Planet Sci. 20 (1992) 527-552
    • (1992) Annu. Rev. Earth Planet Sci. , vol.20 , pp. 527-552
    • Bina, C.R.1    Helffrich, G.R.2
  • 6
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • Blöchl P.E. Projector augmented-wave method. Phys. Rev. B 50 (1994) 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 7
    • 0019663639 scopus 로고
    • Thermodynamic parameters in the Earth as determined from seismic profiles
    • Brown J.M., and Shankland T.J. Thermodynamic parameters in the Earth as determined from seismic profiles. Geophys. J. R. Astr. Soc. 66 (1981) 579-596
    • (1981) Geophys. J. R. Astr. Soc. , vol.66 , pp. 579-596
    • Brown, J.M.1    Shankland, T.J.2
  • 9
    • 0030265188 scopus 로고    scopus 로고
    • First-principles calculation of the equation-of-state, stability, and polar optic modes of CaSiO (sub 3) perovskite
    • Chizmeshya A.V.G., Wolf G.H., and McMillan P.F. First-principles calculation of the equation-of-state, stability, and polar optic modes of CaSiO (sub 3) perovskite. Geophys. Res. Lett. 23 20 (1996) 2725-2728
    • (1996) Geophys. Res. Lett. , vol.23 , Issue.20 , pp. 2725-2728
    • Chizmeshya, A.V.G.1    Wolf, G.H.2    McMillan, P.F.3
  • 12
    • 0000154293 scopus 로고
    • The classification of tilted octahedra in perovskites
    • Glazer A.M. The classification of tilted octahedra in perovskites. Acta Cryst. B28 (1972) 3384
    • (1972) Acta Cryst. , vol.B28 , pp. 3384
    • Glazer, A.M.1
  • 13
    • 84861426369 scopus 로고
    • Simple ways of determining perovskite structures
    • Glazer A.M. Simple ways of determining perovskite structures. Acta Cryst. A31 (1975) 756
    • (1975) Acta Cryst. , vol.A31 , pp. 756
    • Glazer, A.M.1
  • 14
    • 0031859222 scopus 로고    scopus 로고
    • 3 perovskite and its implications for the lower mantle
    • 3 perovskite and its implications for the lower mantle. Phys. Earth Planetary Interiors 105 (1998) 33-46
    • (1998) Phys. Earth Planetary Interiors , vol.105 , pp. 33-46
    • Hama, J.1    Suito, K.2
  • 17
    • 0033531122 scopus 로고    scopus 로고
    • The fate of subducted basaltic crust in the Earth's lower mantle
    • Hirose K., Fei Y., Ma Y.Z., and Mao H.K. The fate of subducted basaltic crust in the Earth's lower mantle. Nature (London) 397 53-56 (1999)
    • (1999) Nature (London) , vol.397 , Issue.53-56
    • Hirose, K.1    Fei, Y.2    Ma, Y.Z.3    Mao, H.K.4
  • 19
    • 0032129091 scopus 로고    scopus 로고
    • 3 perovskite at lower mantel pressures
    • 3 perovskite at lower mantel pressures. Geophys. Res. Lett. 25 14 (1998) 2741-2744
    • (1998) Geophys. Res. Lett. , vol.25 , Issue.14 , pp. 2741-2744
    • Karki, B.B.1    Crain, J.2
  • 20
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse G., and 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
  • 21
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse G., and Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54 (1996) 11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 22
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse G., and Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59 (1999) 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 23
    • 27544435282 scopus 로고    scopus 로고
    • Li, L., et al., 2005. Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle. Geophys. Res. Lett., submitted for publication.
  • 28
    • 33747464947 scopus 로고    scopus 로고
    • Mao, H.K., Yagi, T., Bell, P.M., 1977. Mineralogy of the earth's deep mantle: quenching experiments on mineral compositions at high pressure and temperature, Carnegie Institution of Washington Year Book, 1977, pp. 502-504.
  • 29
    • 0028812936 scopus 로고
    • The composition of the Earth
    • McDonough W.F., and Sun S.S. The composition of the Earth. Chem. Geol. 120 (1995) 223-253
    • (1995) Chem. Geol. , vol.120 , pp. 223-253
    • McDonough, W.F.1    Sun, S.S.2
  • 31
    • 0034473196 scopus 로고    scopus 로고
    • Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model applied to MgSiO (sub 3) perovskite
    • Oganov A.R., Brodholt J.P., and Price G.D. Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model applied to MgSiO (sub 3) perovskite. Phys. Earth Planetary Interiors 122 3-4 (2000) 277-288
    • (2000) Phys. Earth Planetary Interiors , vol.122 , Issue.3-4 , pp. 277-288
    • Oganov, A.R.1    Brodholt, J.P.2    Price, G.D.3
  • 33
    • 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 (London) 411 6840 (2001) 934-937
    • (2001) Nature (London) , vol.411 , Issue.6840 , pp. 934-937
    • Oganov, A.R.1    Brodholt, J.P.2    Price, G.D.3
  • 34
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation
    • Perdew J.P., et al. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46 (1992) 6671-6687
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1
  • 35
    • 0027798177 scopus 로고
    • 3 perovskite-first-principles (periodic Hartree-Fock) results
    • 3 perovskite-first-principles (periodic Hartree-Fock) results. J. Geophys. Res., B Solid Earth Planets 98 (1993) 19795-19805
    • (1993) J. Geophys. Res., B Solid Earth Planets , vol.98 , pp. 19795-19805
    • Sherman, D.M.1
  • 45
    • 0000620927 scopus 로고
    • Correlation hole of the spin-polarized electron-gas, with exact small-wave-vector and high density scaling
    • Wang Y., and Perdew J.P. 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.P.2
  • 47
    • 0032462242 scopus 로고    scopus 로고
    • Phase transitions in silicate perovskites from first principles
    • Warren M.C., Ackland G.J., Karki B.B., and Clark S.J. Phase transitions in silicate perovskites from first principles. Mineralogical Mag. 62 (1998) 585-598
    • (1998) Mineralogical Mag. , vol.62 , pp. 585-598
    • Warren, M.C.1    Ackland, G.J.2    Karki, B.B.3    Clark, S.J.4
  • 50
    • 0034651163 scopus 로고    scopus 로고
    • Phase transformations and partitioning relations in peridotite under lower mantle conditions
    • Wood B.J. Phase transformations and partitioning relations in peridotite under lower mantle conditions. Earth Planetary Sci. Lett. 174 (1997) 341-354
    • (1997) Earth Planetary Sci. Lett. , vol.174 , pp. 341-354
    • Wood, B.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.