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Atomistic lattice simulation of high Tc oxides

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Summary

A survey is outlined of some of the normal-state crystal properties of high Tc oxides that have been calculated recently by atomistic lattice simulations.

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References

  1. Bednorz, J.G. and Muller, K.A., Z. Phys. B. (Condensed Matter), 64 (1986) 189.

    Google Scholar 

  2. Birgenau, R.J., Kaster, M.A. and Aharony, A., Z. Phys. B (Condensed Matter), 71 (1988) 57.

    Google Scholar 

  3. Allan, N.L. and Mackrodt, W.C., Phil. Mag., A58 (1988) 555.

    Google Scholar 

  4. Allan, N.L., Lawton, J.M. and Mackrodt, W.C., Phil. Mag., B59 (1989) 191.

    Google Scholar 

  5. Allan, N.L., Lawton, J.M. and Mackrodt, W.C., J. Phys. (Condensed Matter), 1 (1989) 2657.

    Google Scholar 

  6. Mackrodt, W.C., Mol. Simul, 3 (1989) 1.

    Google Scholar 

  7. Allan, N.L. and Mackrodt, W.C., J. Chem. Soc., Faraday Trans. 2, 85 (1989) 383.

    Google Scholar 

  8. Mackrodt, W.C., Solid State Ionics, 12 (1984) 175.

    Google Scholar 

  9. Mackrodt, W.C. and Stewart, R.F., J. Phys., C12 (1979) 431.

    Google Scholar 

  10. Dick, B.G. and Overhauser, A.W., Phys. Rev., 112 (1958) 90.

    Google Scholar 

  11. Catlow, C.R.A. and Mackrodt, W.C., In Catlow, C.R.A. and Mackrodt, W.C. (Eds.) Computer Simulation of Solids, Springer-Verlag, Berlin, 1982.

    Google Scholar 

  12. Cochran, W., Crit. Rev. Solid State Sci., 2 (1977) 1.

    Google Scholar 

  13. Lidiard, A.B. and Norgett, M.J., In Herman, F.H., Dalton, N.W. and Koehler, T.R. (Eds.) Computational Solid State Physics, Plenum Press, New York, 1972.

    Google Scholar 

  14. Mott, N.F. and Littleton, M.J., Trans. Faraday Soc., 34 (1938) 485.

    Google Scholar 

  15. Hirsch, J.E., Phys. Rev. Lett., 59, (1987) 228.

    PubMed  Google Scholar 

  16. Cava, R.J., Batlogg, B., Krajewski, J.J., Farrow, R., Rupp, Jr., L.W., White, A.E., Short, K., Peck, W.F. and Kometani, T., Nature, 332 (1988) 814.

    Google Scholar 

  17. Tokura, Y., Takagi, H. and Uchida, S., Nature, 337 (1989) 3457.

    Google Scholar 

  18. Takagi, H., Uchida, S. and Tokura, Y., Phys. Rev. Lett., 62 (1989) 1197.

    PubMed  Google Scholar 

  19. Kakol, Z., Spalek, J. and Honig, J.M., J. Solid State Chem., 79 (1989) 288.

    Google Scholar 

  20. Bardeen, J., Mat. Res. Soc. Symp. Proc., 99 (1988) 27.

    Google Scholar 

  21. Weber, W., Phys. Rev. Lett., 58 (1987) 1371.

    PubMed  Google Scholar 

  22. Ramirez, A.P., Batlogg, B., Aeppli, G., Cava, R.J., Rietman, E., Goldman, A. and Shirane, G., Phys. Rev., B35 (1987) 8833.

    Google Scholar 

  23. Balakrishnan, G., Berhoeft, N.R., Bowden, Z.A., Paul, D.McK. and Taylor, A.D., Nature, 327 (1987) 45.

    Google Scholar 

  24. Anderson, P.W., Phys. Rev. Lett., 34 (1975) 953.

    Google Scholar 

  25. Chakravorty, B.K., J. Phys. (Paris), 42 (1981) 1351.

    Google Scholar 

  26. Grande, B. and Müller-Buschbaum, Hk., Z. Anorg. Allg. Chem., 417 (1975) 68.

    Google Scholar 

  27. Longo, J.M. and Raccah, P.M., J. Solid State Chem., 6 (1979) 526.

    Google Scholar 

  28. Müller-Buschbaum, Hk. and Wollschlager, W., Z. Anorg. Allg. Chem., 414 (1975) 76.

    Google Scholar 

  29. Wyckoff, R.W.G., Crystal Structures, Vol. 3, 2nd ed., Interscience, New York, 1963, p. 78.

    Google Scholar 

  30. Teske, Chr.L. and Müller-Buschbaum, Hk., Z. Anorg. Allg. Chem., 371 (1969) 325.

    Google Scholar 

  31. Teske, Chr.L. and Müller-Buschbaum, Hk., Z. Anorg. Allg. Chem., 379 (1970) 234.

    Google Scholar 

  32. Bordet, P., Chaillout, J.J., Chenavas, J., Hewat, A.W., Hewat, E.A., Hodeau, J.L., Marezio, M., Tolence, J.L. and Tranqui, D., Physica C153-155 (1988) 623.

    Google Scholar 

  33. Reihl, B., Riesterer, T., Bednorz, J.G. and Muller, K.A., Phys. Rev., B35 (1987) 8804.

    Google Scholar 

  34. George, A.M., Gopalkrishnan, I.K. and Karkhanavala, M.D., Mater. Res. Bull., 9 (1974) 721.

    Google Scholar 

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Author notes

  1. N. L. Allan

    Present address: Department of Theoretical Chemistry, University of Bristol, Bristol, UK

Authors and Affiliations

  1. ICI Chemicals and Polymers Ltd., The Heath, Runcorn, PO Box 8, WA7 4QD, Cheshire, UK

    N. L. Allan & W. C. Mackrodt

Authors
  1. N. L. Allan
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  2. W. C. Mackrodt
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Allan, N.L., Mackrodt, W.C. Atomistic lattice simulation of high Tc oxides. J Computer-Aided Mol Des 3, 299–309 (1989). https://doi.org/10.1007/BF01532017

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  • DOI: https://doi.org/10.1007/BF01532017

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