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Statistical thermodynamics of schottky defects in molecular and ionic crystals

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Abstract

A statistical thermodynamics of point defects is constructed that permits taking account of the influence of vacancies on both the thermodynamical and structural properties without involving any experimental information.

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Literature cited

  1. G. Gyrifalco, Statistical Physics of a Solid [Russian translation], Mir, Moscow (1975).

    Google Scholar 

  2. L. A. Rott, Statistical Theory of Molecular Systems [in Russian], Nauka, Moscow (1970).

    Google Scholar 

  3. É. T. Bruk-Levinson and V. V. Belov, “Statistical scheme to describe the equilibrium properties of a substance of arbitrary density,” Dokl. Akad. Nauk BSSR,24, No. 9, 805–808 (1980).

    Google Scholar 

  4. É. T. Bruk-Levinson and A. V. Zakharov, “On the statistical theory of vacancies in an equilibrium crystal,” Dokl. Akad. Nauk BSSR,25, No. 6, 514–517 (1981).

    Google Scholar 

  5. V. V. Belov and É. T. Bruk-Levinson, “Thermodynamically consistent statistical description of multicomponent condensed systems. 1. Configuration integral and normalization of distribution functions,” Izv. Akad. Nauk BSSR, Ser. Fiz.-Mat. Nauk, No. 3, 97–104 (1982).

    Google Scholar 

  6. V. V. Belov and E. T. Brook-Levinson, “Statistical-mechanical explanation of the crystalline structure of the heavier rare gas solids,” Phys. Lett.,80A, No. 4, 314–316 (1980).

    Google Scholar 

  7. É. T. Bruk-Levinson and V. V. Belov, “Statistical theory of structural and thermodynamical properties of molecular crystals,” Inzh.-Fiz. Zh.,40, No. 1, 126–133 (1981).

    Google Scholar 

  8. M. F. Fedoryuk, Saddle Point Method [in Russian], Nauka, Moscow (1977).

    Google Scholar 

  9. D. R. Squire and W. G. Hoover, “Monte Carlo simulation of vacancies in rare-gas crystals,” J. Chem. Phys.,50, No. 2, 701–706 (1969).

    Google Scholar 

  10. D. N. Card and P. W. M. Jackobs, “Monte Carlo calculations on rare gas crystals,” Mol. Phys.,34, No. 1, 1–19 (1977).

    Google Scholar 

  11. G. Jacucci and M. Ronchetti, “Monte Carlo simulation of concentration of lattice vacancies by the method of overlapping distributions,” Solid-State Commun.,33, 35–37 (1980).

    Google Scholar 

  12. G. F. Nardelli and N. Terzi, “Vibrational properties of a vacancy in a Born-von Karman fcc lattice,” J. Phys. Chem. Solids,25, 815 (1964).

    Google Scholar 

  13. C. H. Bannet, “Efficient estimation of free energy differences from Monte Carlo data,” J. Comp. Phys.,22, 245 (1976).

    Google Scholar 

  14. G. M. Torrie and J. P. Valleau, “Nonphysical sampling distribution in Monte Carlo free-energy estimation. Umbrella sampling,” J. Comp. Phys.,23, 187 (1977).

    Google Scholar 

  15. V. V. Belov and É. T. Bruk-Levinson, “On the statistical theory of an ionic crystal,” Izv. Akad. Nauk BSSR, Ser. Fiz.-Mat. Nauk, No. 3, 84–87 (1980).

    Google Scholar 

  16. M. Born and Kun Huang, Dynamical Theory of Crystal Lattices, Oxford Univ. Press (1954).

  17. R. W. Dreyfus and A. S. Nowick, J. Appl. Phys., Suppl.,33, No. 1, 473–477 (1962).

    Google Scholar 

  18. G. Liebfried, Microscopic Theory of Mechanical and Thermal Properties of Crystals [Russian translation], Fizmatgiz, Moscow (1963).

    Google Scholar 

  19. V. I. Zubov, “Computation of the thermodynamic properties of a strongly anharmonic crystal with vacancies under pressure,” Izv. Vyssh. Uchebn. Zaved., Fiz., No. 10, 97–99 (1981).

    Google Scholar 

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Translated from Inzhenerno-Fizicheskii Zhurnal, Vol. 44, No. 2, pp. 244–250, February, 1983.

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Bruk-Levinson, É.T., Zakharov, A.V. Statistical thermodynamics of schottky defects in molecular and ionic crystals. Journal of Engineering Physics 44, 166–171 (1983). https://doi.org/10.1007/BF00826142

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  • DOI: https://doi.org/10.1007/BF00826142

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