Abstract
The concentrations of intrinsic point defects in crystalline solids are determined by the thermodynamic parameters that govern their formation and interaction. When extrinsic defects are introduced simultaneously both these and any charge-compensating species that are necessary will interact with the intrinsic defects: the equilibrium defect concentrations are again determined by thermodynamic principles. The Law of Mass Action can be applied to defect equilibria, such as association to form larger defect aggregates, to determine defect distributions. When large variations in stoichiometry occur, for example when cations in certain oxides exhibit variable valence, the defect concentrations, can be shown to depend on the oxygen partial pressure. Energies of defect processes calculated using atomistic simulation techniques can be combined with the mass action approach to determine the variation in defect concentrations with oxide composition and with temperature and to provide a detailed analysis of complex defect structures.
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References
Anderson J.S., 1972 in ‘Surface and Defect Properties of Solids’ Specialist Periodical Reports (The Chemical Society, London).
Allnatt, A.R. and Jacobs, P.W.M. 1961, Proc. Roy. Soc. A260, 350.
Allnatt, A.R. and Loftus E., 1973a, J. Chem. Phys., 59, 2541.
Allnatt, A.R. and Loftus E., 1973b, J. Chem. Phys., 59, 2550.
Allnatt, A.R. and Yuen, P.S., 1975a, J. Phys. C., 8, 2199.
Allnatt, A.R. and Yuen, P.S., 1975b, J. Phys. C., 8, 2213
Bannon, N.M., Corish, J. and Jacobs P.W.M., 1985, Phil. Mag. A52, 61.
Bar-Yam, Y. and Joannopoulos J.D, 1986, Phys. Rev. Lett., 56, 2003.
Bar-Yam, Y., Adler, D. and Joannopoulos J.D., 1986, Phys. Rev. Lett., 57, 467.
Battle, P.D. and Cheetham, A.K., 1979, J. Phys. C., 12, 337.
Bursill, L.A. and Hyde, B.G. 1972, Prog. Solid State Chem., 7, 177.
Bursill, L.A. and Hyde, B.G. and Philp., D.K., 1971, Phil. Mag., 23, 1503.
Carroll, J.G.C., Corish, J., Henderson, B. and Mackrodt, W.C., 1988, J. Mater. Sci., 23, 2824.
Catlow, C.R.A., 1973, J. Phys. C, 6, L64.
Catlow, C.R.A. and Fender B.E.F., 1975, J. Phys. C., 8, 3267.
Catlow, C.R.A., 1977, Proc. Roy. Soc. A353, 533.
Catlow, C.R.A., Fender B.E.F. and Muxworthy, D.G., 1977, J. Phys. (Paris), 38, C7 - 67.
Catlow, C.R.A. and James, R, 1978, Nature 272, 603.
Catlow, C.R.A. and Mackrodt, W.C., Norgett, M.J. and Stoneham, A.M., 1979, Phil, Mag., A40, 161.
Catlow, C.R.A. and Stoneham, A.M., 1981, J.Am.Ceram.Soc., 64, 234.
Catlow, C.R.A., Corish, J., Jacobs, P.W.M., and Lidiard, A.B., 1981, J.Phys.C. 14, L141.
Catlow, C.R.A. and James, R., 1982, Proc. Roy. Soc. A384, 157.
Catlow, C.R.A., 1983, in ‘Mass Transport in Solids’, Eds. C.R.A.Catlow and F. Bénière (Plenum, New York) NATO ASI Series B: Vol. 97, Chapter 16.
Chadwick, A.V. and Glyde H.R., 1977, in ‘Rare Gas Solids’, eds M.L.Klein and J.A. Venables (Academic Press, New York) Ch. 19.
Cheetham, A.K., Fender B.E.F. and Taylor, R.I., 1971, J.Phys. C., 4, 2160.
Christy, R.W. and Lawson, A.W., 1951, J.Chem.Phys. 19, 517.
Corish, J. and Mulcahy, D.C.A. 1980, J.Phys.C., 13, 6459.
Cormack, A.N., Tasker, P.W., Jones, R. and Catlow, C.R.A., 1982, J. Solid State Chem., 44, 174.
de Sorbo, W., 1960, Phys.Rev., 117, 444.
Elliott, S.R., 1990, ‘Physics of Amorphous Materials’ Second Edition (Longmans, U.K.) Chapter 6.
Frenkel, J., 1926, Z.Physik, 35, 652.
Gillan M.J., 1981, Phil. Mag., A43, 301.
Howard, R.E. and Lidiard, 1964, Reports Prog. Phys. 27, 161.
Jackson, R.A., Murray, A.D., Harding, J.H. and Catlow, C.R.A., 1986, Phil. Mag., A53, 27.
Kakalios, J., Street, R.A. and Jackson, W.B., 1987, Phys. Rev. Lett., 59, 1037.
Kawazoe, H., Yanagita, H., Watanake, Y. and Yamane, M., 1988, Phys. Rev. B38, 5661.
Keller, M. and Dieckmann, R., 1985, Ber Bunsenges Phys. Chem., 89, 883.
Kofstad, P., 1972, ‘Nonstoichiometry, Diffusion and Electrical Conductivity in Binary Metal Oxides’ (Wiley, New York).
Lebreton, C. and Hobbs, L.W., 1983, Rad Effects, 74, 227.
Lidiard, A.B., 1954, Phys.Rev. 94, 29.
Lidiard, A.B., 1957 ‘Handbuch der Physik’, Vol. 20 (Springer-Verlag, Berlin) p.264.
Marezio, M., Dernier, P.D., McWhan, D.B. and Romulka, J.P., 1973, J. Solid State Chem., 6, 213.
Simmons, R.O. and Balluffi, R.W., 1960, Phys. Rev. 117, 52.
Sørensen O.T., 1981 in ‘Nonstoichiometric Oxides’, Ed. O.T.Sørensen (Academic Press, New York), Chapter 1.
Sørensen, O.T., 1983, in ‘Mass Transport in Solids’, Eds. C.R.A.Catlow and F. Bénière (Plenum, New York) NATO ASI Series B: Physics, Vol.97, Chapter 1.
Street, R.A., 1982, Phys. Rev. Lett., 49, 1187.
Street, R.A., 1985, J.Non-Cryst. Sol., 77–78, 1.
Street, R.A., Kaklios J., Tsai, C.C. and Hayes, T.M., 1987a, Phys. Rev., B35, 1316.
Street, R.A., Tsai, C.C. Kakalios, J. and Jackson, W.B., 1987b, Phil. Mag. B56, 305.
Thio, T., Munroe, D. and Kastner, M.A., 1984, Phys. Rev. Letts., 52, 667.
Tomlinson, S.M., 1988, Ph.D. Thesis, University of London.
Tomlinson, S.M., Catlow, C.R.A. and Harding J.H., (1990) J.Phys. Chem. Solids 51, 477.
Wang, X, Bar-Yam, Y., Adler, D. and Joannopoulous J.D., 1988, Phys. Rev. B38, 1601.
Willis, B.T.M., 1964a, Proc. Brit. Ceram. Soc., 1, 9.
Willis, B.T.M., 1964b, J. Phys (Paris) 25, 431.
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Corish, J. (1994). Thermodynamic Properties of Defective Solids. In: Catlow, C.R.A. (eds) Defects and Disorder in Crystalline and Amorphous Solids. NATO ASI Series, vol 418. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1942-9_19
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DOI: https://doi.org/10.1007/978-94-011-1942-9_19
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