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Computer Simulation of Defects in Solids

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Defects in Solids

Part of the book series: NATO ASI Series ((NSSB))

Abstract

The study of defect properties of insulating crystals has been a particularly successful area of theory during the last few years. This chapter reviews the methodology and achievements of this exciting and rapidly developing field which has been characterized by the extent of its interaction with experiment and the range of theoretical techniques used.

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References

  • Beeman, D. (1976), J. Comput. Phys. 20, 130.

    Google Scholar 

  • Bendall, P.J., Catlow, C.R.A., Coyish, J. and Jacobs, P.W.M ’(1984), J. Solid State Chem. 51, 159.

    Google Scholar 

  • Catlow, C.R.A. (1973), J. Phys. C6, L64 (1973).

    ADS  Google Scholar 

  • Catlow, C.R.A. (1981), in Non-Stoichiometric Oxides (ed. 0. T. Sorensen ), Academic Press.

    Google Scholar 

  • Catlow, C.R.A. and Norgett (1976), UKAEA Report AERE-M. 2936.

    Google Scholar 

  • Catlow, C.R.A. and Mackrodt, W.C. (Eds.), (1982), Computer Simulation of Solids, Lecture Notes in Physics, Vol. 166 (Springer-Veriag, Berlin). Catlow, C.R.A. and Stoneham, A.M. (1983), J. Phys. C. 16, 4321.

    Google Scholar 

  • Catlow, C.R.A., Diller, K.M. and Norgett, M.J. (1977a), J. Phys, C10, 1395.

    Google Scholar 

  • Catlow, C.R.A., Norgett, M.J. and Ross, T.A. (1977b), J. Phys. C10, 1627. Catlow, C.R.A.

    Google Scholar 

  • Mackrodt, W.C., Norgett, M.J. and Stoneham, A.M. (1977c), Phil. Mag. 35, 177.

    Article  ADS  Google Scholar 

  • Catlow, C.R.A., Corish, J., Diller, K.M., Jacobs, P.W.M. and Norgett, M.J. (1979), J. Phys. C12, 451.

    MathSciNet  ADS  Google Scholar 

  • Catlow, C.R.A., James, R., Mackrodt, W.C. and Stewart (1982), Phys. Rev. B25, 1006.

    Article  ADS  Google Scholar 

  • Catlow, C.R.A., Chadwick, A.V., Greaves, G.N. and Moroney, L.M. (1984), Nature 312, 601.

    Article  ADS  Google Scholar 

  • Catlow, C.R.A., Doherty, M., Price, G.D. Sanders, M.J. and Parker, S.C. (1986), Mat. Sci.Forum 7, 163.

    Article  Google Scholar 

  • Chadwick, A.V. (1982), in ‘Mass: Transport in Solids’ (eds. F. Bénière and C.R.A. Catlow ), Plenum Press.

    Google Scholar 

  • Cicotti, G., Jacucci, G. and MacDonald, I.R. (1976), Phys. Rev. A13, 428. Colbourn, E.A. and Mackrodt, W.C. (1982), Surf. Sci. 117, 571.

    Google Scholar 

  • Collin, G. et al (1983), in ‘Solid State Ionics 83’ (eds. M. Yleitz,B. Saporal. and D. Ravaire) (North Holland), p. 311 (1983). Cormack, A.N. (1986) - to be published.

    Google Scholar 

  • De Bruin, H.J. and Murch, G.E. (1973), Phil. Mag. 27, 1475. Dick, B.G. and Overhauser, A.W. 1958, Phys. Rev. 112, 90.

    Google Scholar 

  • Dixon, M. and Gillan, M.J. (1980a), J. Phys. C13, 1901.

    MathSciNet  ADS  Google Scholar 

  • Dixon, M. and Gillan, M.J. (1980b), J. Phys. C13, 1919.

    Google Scholar 

  • Farrington, G.C. and Briant, J. (1979), in ‘Fast Ion Transport Solids’,(eds. P. Vashishta, J.N. Mundy and G.K. Shenoy), North Holland. Faux, I.D. and Lidiard, A.B. (1971),Z. Naturforsh. A26, 62.

    Google Scholar 

  • Fowler, P.W. and Pyper, N.C. (1985), Proc. Roy. Soc. A398,377. Gillan, M.J. (1985), Physica, 131B, 157. Gillan, M.J. and Jacobs,P.W.M. (1983), Phys. Rev. B28, 759. Gillan, M.J. and Harding, J.H. (1986) - in press.

    Google Scholar 

  • Gordon, R.G. and Kim, Y.S. (1972), J. Chem. Phys. C12, 431.

    Google Scholar 

  • Flagon, J. (1986), Ph.D. Thesis, University of Newcastle (also available as UKAEA Report AERE TP 1177 ).

    Google Scholar 

  • Hansen, J.P. and MacDonald, I.R. (1976), in ‘The Theory of Simple Liquids’ (Academic Press).

    Google Scholar 

  • Hayes, T.L. and Boyce, R. (1983), Solid State Physics, 37, 173. Jacobs, P.W.M. and Moscinski, J. (1985), Physics, B131, 175. Jacucci, G. and Rahman, A. 1978, J. Chem. Phys. 69, 4117.

    Google Scholar 

  • Lechner, R.E. (1983), in ‘Mass Transport in Solids’ (eds. F. Bénièr.e and C.R.A. Catlow ), Plenum Press.

    Google Scholar 

  • Leslie, M. (1982), SERC Daresbury Laboratory Report, DL-SCI-TM31T. Lewis, G.V. ( 1984 ), Ph.D. Thesis, University of. London.

    Google Scholar 

  • Lewis, C.V. and Catlow, C.R.A. (1985), J. Phys. C18, 1149.

    ADS  Google Scholar 

  • Lewis, G.V. and Catlow, C.R.A. (1986), J. Phys. Chem. Solids, 47, 89. Lidiard, A.B. ( 1973 ), Proc. International Conference or. Defects in Semiconductors, Reading, UK.

    Google Scholar 

  • Mackrodt, W.C. (1982), in ‘Computer Simulation of Solids’ (Eda.C.R.A. Catlow and W.C. Mackrodt), Lecture notes in Physics, Vol, 166 (Springer-Berlin).

    Google Scholar 

  • Mackrodt, W.C. (1984), in ‘Transport in Non-Stoichiometric Compounds’ (Eds. G. Petot-Ervas, Hj Matzke and C. Monty),(North Holland). Mackrodt, W.C. and Stewart, R.F. (1979), J. Phys. C12. 431.

    Google Scholar 

  • Mackrodt, W.C., Stewart, R.F., Campbell, J.C. and Hillier, I.M. (1980), J. de Phys. C7, 64.

    Google Scholar 

  • Mackrodt, W.C., Colbourn, E.A. and Kendrick, J. (1980a), Corporate Laboratory Report CL-R/81/1637/A.

    Google Scholar 

  • Mainwood, A. and Stoneham, A.M. (1982), Physica B116, 101.

    Article  Google Scholar 

  • Meyer, M. (1982), in ‘Computer Simulations of Solids’ (Eds. C.R.A.Catlow and W.C. Mackrodt), Lecture Notes in Physics, Vol. 166

    Google Scholar 

  • Mott, N.F. and Littleton, M.J. (1938), Trans. Farad. Soc. 34, 485. Murch, G.E. (1984), in ‘Diffusion in Crystalline Solids’ (Ed. G.E, Hutch and A.S. Nowick ), Academic Press.

    Google Scholar 

  • Murch, G.E. (1975), Phil. Mag. 32, 1129.

    Article  ADS  Google Scholar 

  • Murch, G.E. (1982a), Phil. Mag. A46, 151.

    Article  Google Scholar 

  • Murch, G.E. (1982b), Phil. Mag. A46, 575.

    Article  Google Scholar 

  • Murch, G.E., Murray, A.D. and Catlow, C.R.A. (1986), Solid State Ionics 18, 196.

    Google Scholar 

  • Norgett, M.J. (1974), UKAEA Report, AERE-R. 7650.

    Google Scholar 

  • Parker, S.C. and Price, G.D. (1984), Phys. Chem. Mineral 10, 209. Pople, J.A. and Beveridge, D.L. (1970), ‘Approximate Molecular Orbital Theory’ (McGraw-Hill,NewYork).

    Google Scholar 

  • Rahman, A. (1976), J. Chem. Phys. 65, 4845.

    Google Scholar 

  • Sanders, M.J., Leslie, M. and Catlow, C.R.A. (1984), J. Chem. Soc, Chem. Comm. 1271.

    Google Scholar 

  • Sangster, M.J. and Dixon, M. (1976), Adv. Phys. 25, 247.

    Article  ADS  Google Scholar 

  • Sangster, M.J. and Stoneham, A.M. (1980), Phil. Mag. 43, 597.

    Article  Google Scholar 

  • Sangster, M.J., Schroder, U. and Atwood, R.M. (1978), J. Phys. C11, 1523. Saul, P., Catlow, C.R.A. and Kendrick, J. (1985), Phil. Mag. B51. 107, Szabo, A. and Ostlund, N.S. (1984), ‘Modern Quantum Chemistry’(MacMillan).

    Google Scholar 

  • Stoneham, A.M. (1975) in ‘The Theory of Defects in Solids’, Oxford University Press

    Google Scholar 

  • Taylor, R. (1982), in ‘Computer Simulation of Solids’ (Eds. C.R.A.Catlow and W.C. Mackrodt), Lecture Notes in Physics, Vol. 166 (Springer-Berlin).

    Google Scholar 

  • Taylor, R. (1985), Physica B151, 103.

    Google Scholar 

  • Tosi, M. (1964), Solid State Physics (Eds. F. Seitz and S. Turnbull), 161. Vail, J.M., Harker, A.H., Harding, J.H. and Saul, P. (1984), J. Phys. C17, 3401.

    Google Scholar 

  • Vashishta, P. and Rahman., A. (1979), in ‘Fast Ion Transport in Solids’ (Eds. P. Vashishta et al), North-Holland.

    Google Scholar 

  • Vashishta, P. (1986), Solid State Ionics - in press.

    Google Scholar 

  • Vineyard, G. (1957), J. Phys. Chem. Solids, 3. 157.

    Google Scholar 

  • Wang, D.Y., Park, D.S., Griffiths, J. and Nowick, A.S. (1981), Solid State Ionics 2, 95.

    Article  Google Scholar 

  • Wedepohl, P.T. (1967), Proc. Phys. Soc. 92, 79.

    Google Scholar 

  • Wolf, M.L. (1984), Ph.D. Thesis, University of London

    Google Scholar 

  • Wolf, M.L., Walker, J.R. and Callow, C.R.A. (1984a), J. Phys. C17, 6623. Wolf, M.L. and Catlow, C.R.A. (1984b), J. Phys. C17, 6635.

    Google Scholar 

  • Wolf, M.L., Walker, J.R. and Callow, C.R.A. (1984c), Solid State conics 13, 33.

    Article  Google Scholar 

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Keele, Staffordshire, ST5 5BG, UK

    C. R. A. Catlow

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  1. C. R. A. Catlow
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Editor information

Editors and Affiliations

  1. University of Kent, Canterbury, England

    Alan V. Chadwick

  2. University of Calabria, Renole, Italy

    Mario Terenzi

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© 1986 Springer Science+Business Media New York

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Catlow, C.R.A. (1986). Computer Simulation of Defects in Solids. In: Chadwick, A.V., Terenzi, M. (eds) Defects in Solids. NATO ASI Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0761-8_12

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  • DOI: https://doi.org/10.1007/978-1-4757-0761-8_12

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0763-2

  • Online ISBN: 978-1-4757-0761-8

  • eBook Packages: Springer Book Archive

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