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Physics and Chemistry of Minerals
Volumn 36, Issue 3, 2009, Pages 151-158
DFT study of migration enthalpies in MgSiO3 perovskite
Author keywords

High pressure; MgSiO3perovskite; Migration enthalpies; Rheology of lower mantle
Indexed keywords

DENSITY FUNCTIONAL THEORY; DIFFUSION IN SOLIDS; ELASTICITY; ENTHALPY; MAGNESIUM; MAGNESIUM PRINTING PLATES; OXIDE MINERALS; OXYGEN; PEROVSKITE; PLASTICITY; PRESSURE EFFECTS; RHEOLOGY; VISCOSITY;
EID: 62149129698     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-008-0265-z     Document Type: Article
Times cited : (52)
References (18)
  • 1
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • doi: 10.1103/PhysRevB.50.17953
    • Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953-17979. doi: 10.1103/PhysRevB.50.17953
    • (1994) Phys Rev B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 2
    • 0031413227 scopus 로고    scopus 로고
    • 4) and implications for diffusion creep
    • 4) and implications for diffusion creep. Am Mineral 82:1049-1053
    • (1997) Am Mineral , vol.82 , pp. 1049-1053
    • Brodholt, J.P.1
  • 3
    • 0242286102 scopus 로고    scopus 로고
    • 3 perovskite
    • doi: 10.1016/S0031-9201(03)00144-4
    • 3 perovskite. Phys Earth Planet Inter 139:55-64. doi: 10.1016/ S0031-9201(03)00144-4
    • (2003) Phys Earth Planet Inter , vol.139 , pp. 55-64
    • Dobson, D.P.1
  • 4
    • 0034352739 scopus 로고    scopus 로고
    • The electrical conductivity and thermal profile of the earth's mid-mantle
    • doi: 10.1029/1999GL008409
    • Dobson DP, Brodholt JP (2000) The electrical conductivity and thermal profile of the earth's mid-mantle. Geophys Res Lett 27:2325-2328. doi: 10.1029/1999GL008409
    • (2000) Geophys Res Lett , vol.27 , pp. 2325-2328
    • Dobson, D.P.1    Brodholt, J.P.2
  • 6
    • 0021644814 scopus 로고
    • Subducted slabs and the geoid: Constraints on mantle rheology and flow
    • doi: 10.1029/JB089iB07p06003
    • Hager BH (1984) Subducted slabs and the geoid: Constraints on mantle rheology and flow. J Geophys Res 89:6003-6015. doi: 10.1029/ JB089iB07p06003
    • (1984) J Geophys Res , vol.89 , pp. 6003-6015
    • Hager, B.H.1
  • 7
    • 10644250257 scopus 로고
    • Inhomogenous electron gas
    • doi: 10.1103/PhysRev.136.B864
    • Hohenberg P, Kohn W (1964) Inhomogenous electron gas. Phys Rev 136:B864-B871. doi: 10.1103/PhysRev.136.B864
    • (1964) Phys Rev , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 9
    • 33646454176 scopus 로고    scopus 로고
    • Vacancy defects in MgO at high pressure
    • doi: 10.2138/am.2006.1998
    • Karki BB, Khanduja G (2006) Vacancy defects in MgO at high pressure. Am Mineral 91:511-516. doi: 10.2138/am.2006.1998
    • (2006) Am Mineral , vol.91 , pp. 511-516
    • Karki, B.B.1    Khanduja, G.2
  • 10
    • 34447264268 scopus 로고    scopus 로고
    • 3 perovskite and post-perovskite
    • doi: 10.1016/j.epsl.2007.05.031
    • 3 perovskite and post-perovskite. Earth Planet Sci Lett 260:201-211. doi: 10.1016/j.epsl.2007.05.031
    • (2007) Earth Planet Sci Lett , vol.260 , pp. 201-211
    • Karki, B.B.1    Khanduja, G.2
  • 11
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • doi: 10.1103/PhysRev.140.A1133
    • Kohn W, Sham LJ (1965) Self-consistent equations including exchange and correlation effects. Phys Rev 140:A1133-A1138. doi: 10.1103/ PhysRev.140.A1133
    • (1965) Phys Rev , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 12
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • doi: 10.1103/PhysRevB.47.558
    • Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys Rev B 47:558-561. doi: 10.1103/PhysRevB.47.558
    • (1993) Phys Rev B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 13
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • doi: 10.1016/0927-0256(96)00008-0
    • Kresse G, Furthmüller J (1996) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mat Sci 6:15-50. doi: 10.1016/0927-0256(96)00008-0
    • (1996) Comput Mat Sci , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 14
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented wave method
    • doi: 10.1103/PhysRevB.59.1758
    • Kresse G, Joubert J (1999) From ultrasoft pseudopotentials to the projector augmented wave method. Phys Rev B 59:1758-1775. doi: 10.1103/ PhysRevB.59.1758
    • (1999) Phys Rev B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, J.2
  • 15
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • doi: 10.1103/PhysRevB.45.13244
    • Perdew JP, Wang Y (1992) Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B 45:13244-13249. doi: 10.1103/PhysRevB.45.13244
    • (1992) Phys Rev B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 16
    • 0027868457 scopus 로고
    • Computer simulation of defects and diffusion in perovskite
    • Wright K, Price GD (1993) Computer simulation of defects and diffusion in perovskite. J Geophys Res 98:22.245-22.253
    • (1993) J Geophys Res , vol.98
    • Wright, K.1    Price, G.D.2
  • 18
    • 0037058181 scopus 로고    scopus 로고
    • 3 perovskite
    • doi: 10.1029/2001JB000677
    • 3 perovskite. J Geophys Res 107. doi: 10.1029/ 2001JB000677
    • (2002) J Geophys Res , vol.107
    • Xu, Y.1    McCammon, C.2

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.