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  1. 2026

  2. First-principles study of Ba3B2O3F6 fluorooxoborate: From structural prediction to physical properties under high pressure

    Sagatov, N. E., Bekker, T. B. & Davydov, A. V., 1 Oct 2026, In: Physica B: Condensed Matter. 739, 6 p., 418946.

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

  3. BaF2–B2O3 Fluorooxoborates: Insights into Electronic Structure, Mechanical Properties, and High-Pressure Stability

    Sagatov, N. E. & Bekker, T. B., 23 Jul 2026, In: Journal of Physical Chemistry C. 130, 29, p. 10453-10463 11 p.

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

  4. Insights into high-pressure stability, vibrational and mechanical characteristics of Ba5(BO3)3F

    Sagatov, N., Bekker, T. B., Mikhno, A. O. & Davydov, A. V., Apr 2026, In: Next Materials. 11, 10 p., 101680.

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

  5. Structural insights into thermal behavior and vibrational properties of Ni5P4

    Vereshchagin, O. S., Pankin, D. V., Gorelova, L. A., Sagatov, N., Khmelnitskaya, M. O., Vlasenko, N. S., Gavryushkin, P. N. & Britvin, S. N., 15 Jan 2026, In: Materials Chemistry and Physics. 348, Part 2, 7 p., 131642.

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

  6. 2025

  7. Stability of Carbonate Structures with sp3-Hybridized Carbon Atoms on Decompression to Ambient Pressure

    Gavryushkin, P., Sagatova, D., Sagatov, N. & Bernikov, I., Nov 2025, In: Journal of Structural Chemistry. 66, 11, p. 2386-2394 9 p., 13.

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

  8. Phase relations in calcium silicates, Ca2SiO4 and CaSi2O5, investigated by first-principle quasi-harmonic theory

    Sagatova, D. N., Sagatov, N. E., Shatskiy, A. F., Gavryushkin, P. N. & Litasov, K. D., Aug 2025, In: Computational Materials Science. 258, 7 p., 114044.

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

  9. Reevaluating CaCO3 Behavior at High Pressure: Formation of Ca2CO4 under Reduced Conditions

    Gavryushkin, P. N., Shatskiy, A., Bernikov, I., Sagatov, N., Litasov, K. D. & Higo, Y., 30 Jun 2025, In: JETP Letters. 122, 1, p. 44-47 4 p.

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

  10. K2C2O5─The First Finding of Pyrocarbonate Stable at Ambient Pressure

    Banaev, M. V., Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 23 May 2025, In: Crystal Growth and Design. 25, 11, p. 3786–3792 7 p.

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

  11. Insights into the Defect Structure of NaBa12(BO3)7F4 (NBBF) Crystals Using Raman Spectroscopy: Numerical and Experimental Study

    Bekker, T. B., Sagatov, N. E., Goryainov, S. V., Mikhno, A. O., Davydov, A. V., Yelisseyev, A. P., Romanenko, A. V. & Rashchenko, S. V., 15 May 2025, In: Crystal Growth and Design. 25, 11, p. 4073–4081 9 p.

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

  12. P−T phase diagram of Na2C2O5 at pressures up to 100 GPa

    Sagatova, D. N., Sagatov, N. E., Banaev, M. V. & Gavryushkin, P. N., 1 Mar 2025, In: Solid State Communications. 397, 115764.

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

  13. Stability of carbonate structures with sp3-hybridized carbon atoms on decompression to ambient pressure

    Гаврюшкин, П. Н., Сагатова, Д., Сагатов, Н. & Берников, И. П., 2025, In: Журнал структурной химии. 66, 11, 155933.

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

  14. Tuning and understanding optical behavior in antizeolite borates: The critical role of lattice dynamics

    Inerbaev, T. M., Sagatov, N. E. & Bekker, T. B., 2025, In: Physica Scripta. 100, 12, 125957.

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

  15. Переоценка поведения СаСО3 при высоком давлении: образование Са2СО4 в восстановительных условиях

    Гаврюшкин, П. Н., Шацкий, А. Ф., Берников, И. П., Сагатов, Н., Литакос, К. Д. & Хиго, Ю., 2025, In: Письма в Журнал экспериментальной и теоретической физики. 122, 1-2, p. 49-52

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

  16. 2024

  17. Searching for Stable Beryllium Carbonates in the BeO-CO2 System

    Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 27 Nov 2024, In: Journal of Physical Chemistry C. 128, 49, p. 21201-21207 7 p.

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

  18. Dynamic Disorder of [BO3] Groups in the LiBa12(BO3)7F4 and NaBa12(BO3)7F4 Crystals

    Sagatov, N. E., Gavryushkin, P. N. & Bekker, T. B., 17 Oct 2024, In: Journal of Physical Chemistry C. 128, 41, p. 17703-17709 7 p.

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

  19. Functional borates and their high-pressure polymorphic modifications. Review

    Bekker, T. B., Davydov, A. V. & Sagatov, N. E., 15 Oct 2024, In: Condensed Matter and Interphases. 26, 4, p. 620-632 13 p.

    Research output: Contribution to journal › Review article › peer-review

  20. Thermodynamic stability of Li-pyrocarbonate at atmospheric and high pressures

    Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., Sept 2024, In: Inorganic Chemistry Communications. 167, 5 p., 112808.

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

  21. DFT calculations of the stability field and properties of a predicted lanthanum–scandium–aluminum garnet La3Sc2Al3O12 and P–T phase diagram of Y3Sc2Al3O12

    Sagatova, D. N., Sagatov, N. E., Gavryushkin, P. N. & Solodovnikov, S. F., Jul 2024, In: Computational Materials Science. 243, 8 p., 113124.

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

  22. Pb2[C2O6]-P3̄m1: new insights into the high-pressure behavior of carbonates

    Banaev, M. V., Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 4 Apr 2024, In: Physical Chemistry Chemical Physics. 26, 17, p. 13070-13077 8 p.

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

  23. Growth, crystal structure and IR luminescence of KSrY1–xErx(BO3)2

    Kuznetsov, A. B., Kokh, K. A., Gorelova, L. A., Sofich, D. O., Sagatov, N., Gavryushkin, P. N., Vereshchagin, O. S., Bocharov, V. N., Shevchenko, V. S. & Kokh, A. E., 1 Apr 2024, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 80, Pt 2, p. 126-134 9 p.

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

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