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Method for calculating coefficients of concentrational variations in lattice constants and the distribution of impurity atoms between sublattices in intermetallic compounds

  • Proceedings of the 7th International Conference “Phase Transitions and the Strength of Crystals”
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Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

A method is proposed for calculating coefficients of concentrational variations in lattice constants in solid solutions, based on first-principles determination of the total energy of solid solutions and the continual approximation in the solutions theory, allowing for the deformation interaction of impurity atoms due to distortions of the solvent crystal lattice.

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Authors and Affiliations

  1. Faculty of Physics, Vologda State Technical University, 160000, Russia

    V. I. Bogdanov & V. A. Popov

  2. Faculty of Chemistry, Moscow State University, Moscow, 119991, Russia

    V. K. Portnoi

  3. Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm, 100 44, Sweden

    A. V. Ruban

Authors
  1. V. I. Bogdanov
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  2. V. A. Popov
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  3. V. K. Portnoi
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  4. A. V. Ruban
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Corresponding author

Correspondence to V. I. Bogdanov.

Additional information

Original Russian Text © V.I. Bogdanov, V.A. Popov, V.K. Portnoi, A.V. Ruban, 2013, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2013, Vol. 77, No. 11, pp. 1631–1633.

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Bogdanov, V.I., Popov, V.A., Portnoi, V.K. et al. Method for calculating coefficients of concentrational variations in lattice constants and the distribution of impurity atoms between sublattices in intermetallic compounds. Bull. Russ. Acad. Sci. Phys. 77, 1360–1362 (2013). https://doi.org/10.3103/S1062873813110075

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  • DOI: https://doi.org/10.3103/S1062873813110075

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