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Volumn 84, Issue 9, 2011, Pages

Ab initio study of intrinsic defects in zirconolite

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[No Author keywords available]

Indexed keywords


EID: 80053491854     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.094118     Document Type: Article
Times cited : (26)

References (41)
  • 1
    • 80053499913 scopus 로고    scopus 로고
    • UK National Decommissioning Authority Report, Geological Disposal Options for High-Level Waste and Spent Fuel
    • T. Balwin, N. Chapman, and F. Neall, UK National Decommissioning Authority Report, Geological Disposal Options for High-Level Waste and Spent Fuel (2008).
    • (2008)
    • Balwin, T.1    Chapman, N.2    Neall, F.3
  • 5
    • 79959963008 scopus 로고    scopus 로고
    • 1364-5021 10.1098/rspa.2010.0517
    • J. Mulroue and D. M. Duffy, Proc. R. Soc. A 1364-5021 10.1098/rspa.2010.0517 467, 2054 (2011).
    • (2011) Proc. R. Soc. A , vol.467 , pp. 2054
    • Mulroue, J.1    Duffy, D.M.2
  • 6
    • 0036842868 scopus 로고    scopus 로고
    • Molecular dynamics simulation of the -recoil nucleus displacement cascade in zirconolite
    • DOI 10.1016/S0022-3115(02)01134-0, PII S0022311502011340
    • L. Veiller, J-P Crocombette, and D. Ghaleb, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/S0022-3115(02)01134-0 306, 61 (2002). (Pubitemid 35289295)
    • (2002) Journal of Nuclear Materials , vol.306 , Issue.1 , pp. 61-72
    • Veiller, L.1    Crocombette, J.-P.2    Ghaleb, D.3
  • 7
    • 0030958593 scopus 로고    scopus 로고
    • Application of analytical electron microscopy to the study of radiation damage in the complex oxide mineral zirconolite
    • DOI 10.1016/S0968-4328(97)00005-X, PII S096843289700005X
    • G. R. Lumpkin, K. L. Smith, and R. Giere, Micron MICNB2 0968-4328 10.1016/S0968-4328(97)00005-X 28, 57 (1997). (Pubitemid 27275223)
    • (1997) Micron , vol.28 , Issue.1 , pp. 57-68
    • Lumpkin, G.R.1    Smith, K.L.2    Giere, R.3
  • 12
    • 10344257999 scopus 로고    scopus 로고
    • Titanate-based ceramics for separated long-lived radionuclides
    • DOI 10.1016/j.crci.2004.02.018, PII S1631074804002206
    • C. Fillet, T. Advocat, F. Bart, G. Leturcq, and H. Rabiller, C. R. Chimie 1631-0748 10.1016/j.crci.2004.02.018 7, 1165 (2004). (Pubitemid 39625281)
    • (2004) Comptes Rendus Chimie , vol.7 , Issue.12 , pp. 1165-1172
    • Fillet, C.1    Advocat, T.2    Bart, F.3    Leturcq, G.4    Rabiller, H.5
  • 13
    • 0022706314 scopus 로고
    • 0022-3115 10.1016/0022-3115(86)90006-1
    • W. J. Weber, J. W. Wald, and H. J. Matzke, J. Nucl. Mater 0022-3115 10.1016/0022-3115(86)90006-1 138, 196 (1986).
    • (1986) J. Nucl. Mater , vol.138 , pp. 196
    • Weber, W.J.1    Wald, J.W.2    Matzke, H.J.3
  • 16
    • 33746597118 scopus 로고    scopus 로고
    • High-pressure phases of silane
    • DOI 10.1103/PhysRevLett.97.045504
    • C. J. Pickard and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.045504 97, 045504 (2006). (Pubitemid 44147322)
    • (2006) Physical Review Letters , vol.97 , Issue.4 , pp. 045504
    • Pickard, C.J.1    Needs, R.J.2
  • 17
    • 34547264361 scopus 로고    scopus 로고
    • 1745-2473 10.1038/nphys625
    • C. J. Pickard and R. J. Needs, Nat. Phys. 1745-2473 10.1038/nphys625 3, 473 (2007).
    • (2007) Nat. Phys. , vol.3 , pp. 473
    • Pickard, C.J.1    Needs, R.J.2
  • 18
  • 19
    • 56349101851 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.78.184102
    • A. J. Morris, C. J. Pickard, and R. J. Needs, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.184102 78, 184102 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 184102
    • Morris, A.J.1    Pickard, C.J.2    Needs, R.J.3
  • 20
    • 80053547095 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.80.144122
    • A. J. Morris, C. J. Pickard, and R. J. Needs, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.144122 80, 144122 (2009).
    • (2009) Phys. Rev. B , vol.80 , pp. 144122
    • Morris, A.J.1    Pickard, C.J.2    Needs, R.J.3
  • 21
    • 0000392617 scopus 로고
    • 0028-0836 10.1038/283282a0
    • H. J. Rossell, Nature 0028-0836 10.1038/283282a0 283, 282 (1980).
    • (1980) Nature , vol.283 , pp. 282
    • Rossell, H.J.1
  • 23
    • 25744460922 scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 24
    • 0011236321 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and G. Joubert, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, G.2
  • 25
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 26
    • 67650477309 scopus 로고    scopus 로고
    • CMLTAG 0366-7022 10.1246/cl.2009.180
    • Y. Miseki, K. Saito, and A. Kudo, Chemistry Letters CMLTAG 0366-7022 10.1246/cl.2009.180 38, 180 (2009).
    • (2009) Chemistry Letters , vol.38 , pp. 180
    • Miseki, Y.1    Saito, K.2    Kudo, A.3
  • 28
    • 44949179694 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.77.241201
    • S. Lany, H. Raebiger, and A. Zunger, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.77.241201 77, 241201 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 241201
    • Lany, S.1    Raebiger, H.2    Zunger, A.3
  • 32
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • DOI 10.1016/j.commatsci.2005.04.010, PII S0927025605001849
    • G. Henkelman, A. Arnaldsson, and H. Jonsson, Computation Material Science 0927-0256 10.1016/j.commatsci.2005.04.010 36, 354 (2006). (Pubitemid 44382438)
    • (2006) Computational Materials Science , vol.36 , Issue.3 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 34
    • 34548218761 scopus 로고    scopus 로고
    • Zr and Hf diffusion in rutile
    • DOI 10.1016/j.epsl.2007.06.027, PII S0012821X07004347
    • D. J. Cherniak, J. Manchester, and E. B. Watson, Earth and Planetary Science Letters EPSLA2 0012-821X 10.1016/j.epsl.2007.06.027 261, 267 (2007). (Pubitemid 47324167)
    • (2007) Earth and Planetary Science Letters , vol.261 , Issue.1-2 , pp. 267-279
    • Cherniak, D.J.1    Manchester, J.2    Watson, E.B.3
  • 36
    • 0037437935 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.67.035108
    • J. L. Gavartin, P. V. Sushko, and A. L. Shluger, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.67.035108 67, 035108 (2003).
    • (2003) Phys. Rev. B , vol.67 , pp. 035108
    • Gavartin, J.L.1    Sushko, P.V.2    Shluger, A.L.3
  • 39
    • 80053477697 scopus 로고    scopus 로고
    • e-print arXiv: 1009.5567v1 [cond-mat.mtrl-sci].
    • A. Samanta, T. Lenosky, and J. Li, e-print arXiv: 1009.5567 v1 [cond-mat.mtrl-sci].
    • Samanta, A.1    Lenosky, T.2    Li, J.3
  • 41


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