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  1. 2013

  2. Theoretical Modeling of antiferrodistortive phase transition for SrTiO3 ultrathin films

    Blokhin, E., Evarestov, R. A., Gryaznov, D., Kotomin, E. A. & Maier, J., 2013, In: Physical Review B - Condensed Matter and Materials Physics. 88, p. 241407(R)-241410(R)

    Research output: Contribution to journal › Article

  3. Theoretical modeling of the complexes of iron impurities and oxygen vacancies in SrTiO3

    Blokhin, E., Kotomin, E., Kuzmin, A., Purans, J. & Evarestov, R., 2013, In: Applied Physics Letters. 102, p. 112913

    Research output: Contribution to journal › Article

  4. 2012

  5. Ab initio structure modeling of ZrO 2 nanosheets and single-wall nanotubes

    Bandura, A. V. & Evarestov, R. A., 1 Dec 2012, In: Computational Materials Science. 65, p. 395-405 11 p.

    Research output: Contribution to journal › Article › peer-review

  6. First-principles calculations on thermodynamic properties of BaTiO 3 rhombohedral phase

    Bandura, A. V. & Evarestov, R. A., 5 Jul 2012, In: Journal of Computational Chemistry. 33, 18, p. 1554-1563 10 p.

    Research output: Contribution to journal › Article › peer-review

  7. Ab initio structure modeling of ZrO2 nanosheets and single-wall nanotubes

    Bandura, A. V. & Evarestov, R. A., 2012, In: Computational Materials Science. 65, p. 395–405

    Research output: Contribution to journal › Article

  8. First-Principles Calculations on the Four Phases of BaTiO3

    Evarestov, R. A. & Bandura, A. V., 2012, In: Journal of Computational Chemistry. 33, p. 1123–1130

    Research output: Contribution to journal › Article

  9. First-Principles Calculations on Thermodynamic Properties of BaTiO3 Rhombohedral Phase

    Bandura, A. V. & Evarestov, R. A., 2012, In: Journal of Computational Chemistry. 33, p. 1554–1563

    Research output: Contribution to journal › Article

  10. Jahn-Teller effect in the phonon properties of defective SrTiO3 from first principles

    Evarestov, R., Blokhin, E., Gryaznov, D., Kotomin, E. & Maier, J., 2012, In: Physical Review B - Condensed Matter and Materials Physics. 85

    Research output: Contribution to journal › Article

  11. Quantum Chemistry of Solids. LCAO Treatment of Crystals and Nanostructures. Springer Series in Solid State Sciences vol 153

    Evarestov, R. A., 2012, Springer Nature.

    Research output: Book/Report/Anthology › Book › Research

  12. Rod groups and their settings as special geometric realisations of line groups

    Evarestov, R. A. & Panin, A. I., 2012, In: Acta Crystallographica Section A: Foundations of Crystallography. A68, p. 582-588

    Research output: Contribution to journal › Article

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