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Volumn 36, Issue 4, 2009, Pages 233-239

Peierls dislocation modelling in perovskite (CaTiO3): Comparison with tausonite (SrTiO3) and MgSiO3 perovskite

Author keywords

CaTiO3; Deformation mechanisms; Dislocations; First principle calculations; Peierls Nabarro model; Perovskite; Slip systems

Indexed keywords

CALCULATIONS; DISLOCATIONS (CRYSTALS); FRICTION; MAGNESIUM COMPOUNDS; SILICON COMPOUNDS; STRONTIUM TITANATES;

EID: 64249153148     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-008-0272-0     Document Type: Article
Times cited : (21)

References (38)
  • 1
    • 0024485116 scopus 로고
    • Creep of barium titanate perovskite: A contribution to a systematic approach to the viscosity of the mantle
    • doi: 10.1016/0031-9201(89)90242-2
    • Beauchesne S, Poirier JP (1989) Creep of barium titanate perovskite: A contribution to a systematic approach to the viscosity of the mantle. Phys Earth Planet Inter 55:187-199. doi: 10.1016/0031-9201(89)90242-2
    • (1989) Phys Earth Planet Inter , vol.55 , pp. 187-199
    • Beauchesne, S.1    Poirier, J.P.2
  • 2
    • 0025243076 scopus 로고
    • In search of a systematics for the viscosity of perovskites: Creep of potassium tantalate and niobate
    • doi: 10.1016/0031-9201(90)90105-7
    • Beauchesne S, Poirier JP (1990) In search of a systematics for the viscosity of perovskites: Creep of potassium tantalate and niobate. Phys Earth Planet Inter 61:182-198. doi: 10.1016/0031-9201(90)90105-7
    • (1990) Phys Earth Planet Inter , vol.61 , pp. 182-198
    • Beauchesne, S.1    Poirier, J.P.2
  • 3
    • 0030302362 scopus 로고    scopus 로고
    • 3 perovskite deformed at high temperature: A transmission electron microscopy study
    • doi: 10.1007/BF00199499
    • 3 perovskite deformed at high temperature: A transmission electron microscopy study. Phys Chem Miner 23:337-344. doi: 10.1007/BF00199499
    • (1996) Phys Chem Miner , vol.23 , pp. 337-344
    • Besson, P.1    Poirier, J.P.2    Price, G.D.3
  • 4
    • 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
  • 5
    • 34347272299 scopus 로고    scopus 로고
    • 3 post-perovskite calculated at 120 GPa from first principles
    • doi: 10.1080/14786430701268914
    • 3 post-perovskite calculated at 120 GPa from first principles. Philos Mag 87:3229-3247. doi: 10.1080/ 14786430701268914
    • (2007) Philos Mag , vol.87 , pp. 3229-3247
    • Carrez, P.1    Ferre, D.2    Cordier, P.3
  • 6
    • 0037167838 scopus 로고    scopus 로고
    • 3 perovskite at high pressure and temperature
    • doi: 10.1038/nature01130
    • 3 perovskite at high pressure and temperature. Nature 419:824-826. doi: 10.1038/nature01130
    • (2002) Nature , vol.419 , pp. 824-826
    • Chen, J.H.1    Weidner, D.J.2    Vaughan, M.T.3
  • 7
    • 0000473656 scopus 로고
    • Dislocations and stacking faults
    • doi: 10.1088/0034-4885/33/1/307
    • Christian JW, Vitek V (1970) Dislocations and stacking faults. Rep Prog Phys 33:307-411. doi: 10.1088/0034-4885/33/1/307
    • (1970) Rep Prog Phys , vol.33 , pp. 307-411
    • Christian, J.W.1    Vitek, V.2
  • 8
    • 1942435221 scopus 로고    scopus 로고
    • 3 Perovskite at conditions of the Earth's uppermost lower mantle
    • doi: 10.1038/nature02472
    • 3 Perovskite at conditions of the Earth's uppermost lower mantle. Nature 428:837-840. doi: 10.1038/nature02472
    • (2004) Nature , vol.428 , pp. 837-840
    • Cordier, P.1    Ungár, T.2    Zsoldos, L.3    Tichy, G.4
  • 10
    • 34547863493 scopus 로고    scopus 로고
    • 3 perovskite at 30 GPa based on the Peierls-Nabarro model
    • doi: 10.1016/j.pepi.2007.05.011
    • 3 perovskite at 30 GPa based on the Peierls-Nabarro model. Phys Earth Planet Inter 163:283-291. doi: 10.1016/j.pepi.2007.05.011
    • (2007) Phys Earth Planet Inter , vol.163 , pp. 283-291
    • Ferré, D.1    Carrez, P.2    Cordier, P.3
  • 11
    • 38549111864 scopus 로고    scopus 로고
    • 3 using the Peierls-Nabarro model
    • doi: 10.1103/PhysRevB.77.014106
    • 3 using the Peierls-Nabarro model. Phys Rev B 77:014106. doi: 10.1103/PhysRevB.77.014106
    • (2008) Phys Rev B , vol.77 , pp. 014106
    • Ferré, D.1    Carrez, P.2    Cordier, P.3
  • 12
    • 67650462686 scopus 로고    scopus 로고
    • Dislocation modelling in calcium silicate perovskite based on the Peierls-Nabarro model
    • (in press). doi: 10.2138/am.2009.3003
    • Ferré D, Carrez P, Cordier P (2008b) Dislocation modelling in calcium silicate perovskite based on the Peierls-Nabarro model. Am Mineral (in press). doi: 10.2138/am.2009.3003
    • (2008) Am Mineral
    • Ferré, D.1    Carrez, P.2    Cordier, P.3
  • 15
    • 0010917373 scopus 로고
    • Peierls-Nabarro model of dislocations in silicon with generalized stacking-fault restoring forces
    • doi: 10.1103/PhysRevB.50.5890
    • Joos B, Ren Q, Duesbery MS (1994) Peierls-Nabarro model of dislocations in silicon with generalized stacking-fault restoring forces. Phys Rev B 50:5890-5898. doi: 10.1103/PhysRevB.50.5890
    • (1994) Phys Rev B , vol.50 , pp. 5890-5898
    • Joos, B.1    Ren, Q.2    Duesbery, M.S.3
  • 16
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • doi: 10.1103/PhysRevB.54.11169
    • Kresse G, Furthmüller J (1996a) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169-11186. doi: 10.1103/PhysRevB.54.11169
    • (1996) Phys Rev B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 17
    • 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 (1996b) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6:15-50. doi: 10.1016/0927-0256(96)00008-0
    • (1996) Comput Mater Sci , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 18
    • 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. doi: 10.1103/PhysRevB.47.558
    • (1993) Phys Rev B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 19
    • 27744460065 scopus 로고
    • Ab initio molecular dynamics simulation of the liquid-metal amorphous-semiconductor transition in germanium
    • doi: 10.1103/PhysRevB.49.14251
    • Kresse G, Hafner J (1994) Ab initio molecular dynamics simulation of the liquid-metal amorphous-semiconductor transition in germanium. Phys Rev B 49:14251-14269. doi: 10.1103/PhysRevB.49.14251
    • (1994) Phys Rev B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 20
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • doi: 10.1103/PhysRevB.59.1758
    • Kresse G, Joubert D (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, D.2
  • 21
    • 0344080407 scopus 로고    scopus 로고
    • 3 Perovskite aggregates up to 32 GPa
    • doi: 10.1016/S0012-821X(03)00098-0
    • 3 Perovskite aggregates up to 32 GPa. Earth Planet Sci Lett 209:351-360. doi: 10.1016/S0012-821X(03)00098-0
    • (2003) Earth Planet Sci Lett , vol.209 , pp. 351-360
    • Merkel, S.1    Wenk, H.R.2    Badro, J.3
  • 23
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 23:5048-5192
    • (1976) Phys Rev B , vol.23 , pp. 5048-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 24
    • 67349287500 scopus 로고    scopus 로고
    • 3 perovskite at a high pressure and temperature condition
    • (in press). doi: 10.1016/j.pepi.2008.04.004
    • 3 perovskite at a high pressure and temperature condition. Phys Earth Planet Inter (in press). doi: 10.1016/ j.pepi.2008.04.004
    • (2008) Phys Earth Planet Inter
    • Miyajima, N.1    Yagi, T.2    Ichihara, M.3
  • 25
    • 30744451865 scopus 로고
    • Dislocations in a simple cubic lattice
    • doi: 10.1088/0959-5309/59/2/309
    • Nabarro FRN (1947) Dislocations in a simple cubic lattice. Proc Phys Soc Lond 59:256-272. doi: 10.1088/0959-5309/59/2/309
    • (1947) Proc Phys Soc Lond , vol.59 , pp. 256-272
    • Nabarro, F.R.N.1
  • 26
  • 27
    • 0002067455 scopus 로고
    • On the size of a dislocation
    • doi: 10.1088/0959-5309/52/1/305
    • Peierls RE (1940) On the size of a dislocation. Proc Phys Soc Lond 52:34-37. doi: 10.1088/0959-5309/52/1/305
    • (1940) Proc Phys Soc Lond , vol.52 , pp. 34-37
    • Peierls, R.E.1
  • 28
    • 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
  • 31
    • 21744448493 scopus 로고    scopus 로고
    • The Peierls model: Progress and limitations
    • doi: 10.1016/j.msea.2005.03.050
    • Schoeck G (2005) The Peierls model: Progress and limitations. Mater Sci Eng A 400-401:7-17. doi: 10.1016/j.msea.2005.03.050
    • (2005) Mater Sci Eng A , vol.400-401 , pp. 7-17
    • Schoeck, G.1
  • 32
    • 84996263828 scopus 로고
    • Intrinsic stacking faults in body-centered cubic crystals
    • doi: 10.1080/14786436808227500
    • Vítek V (1968) Intrinsic stacking faults in body-centered cubic crystals. Philos Mag 18:773-786. doi: 10.1080/14786436808227500
    • (1968) Philos Mag , vol.18 , pp. 773-786
    • Vítek, V.1
  • 33
    • 0027878817 scopus 로고
    • Electron microscopy study of domain structure due to phase transitions in natural perovskite
    • doi: 10.1007/BF00200117
    • Wang Y, Liebermann RC (1993) Electron microscopy study of domain structure due to phase transitions in natural perovskite. Phys Chem Miner 20:147-158. doi: 10.1007/BF00200117
    • (1993) Phys Chem Miner , vol.20 , pp. 147-158
    • Wang, Y.1    Liebermann, R.C.2
  • 36
    • 0027843923 scopus 로고
    • 3) - A contribution to creep systematics in perovskites
    • doi: 10.1016/0031-9201(93)90111-L
    • 3) - a contribution to creep systematics in perovskites. Phys Earth Planet Inter 79:299-312. doi: 10.1016/0031-9201(93)90111-L
    • (1993) Phys Earth Planet Inter , vol.79 , pp. 299-312
    • Wang, Z.C.1    Karato, S.2    Fujino, K.3
  • 37
    • 5044252140 scopus 로고    scopus 로고
    • In situ observation of texture development in olivine, ringwoodite, magnesiowüstite and silicate perovskite
    • doi: 10.1016/j.epsl.2004.07.033
    • Wenk HR, Lonardelli I, Pehl J et al (2004) In situ observation of texture development in olivine, ringwoodite, magnesiowüstite and silicate perovskite. Earth Planet Sci Lett 226:507-519. doi: 10.1016/ j.epsl.2004.07.033
    • (2004) Earth Planet Sci Lett , vol.226 , pp. 507-519
    • Wenk, H.R.1    Lonardelli, I.2    Pehl, J.3


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