Научная группа «Компьютерное моделирование физических свойств перспективных материалов с подрешеткой редкоземельных ионов»

2020

Data on vibrational spectra of the langasites Ln₃CrGe₃Be₂O₁₄ (Ln = La, Pr, Nd) and ab initio calculations

Kuzmin, N. N., Klimin, S. A., Mavrin, B. N., Boldyrev, K. N., Chernyshev, V. A., Mill, B. V. & Popova, M. N., feb. 2020, En: Data in Brief. 28, 10 p., 104889.

Resultado de la investigación: Article › revisión exhaustiva

Acceso abierto

2 Citas (Scopus)

Lattice dynamics and structure of the new langasites Ln₃CrGe₃Be₂O₁₄ (Ln = La, Pr, Nd): Vibrational spectra and ab initio calculations

Kuzmin, N. N., Klimin, S. A., Mavrin, B. N., Boldyrev, K. N., Chernyshev, V. A., Mill, B. V. & Popova, M. N., mar. 2020, En: Journal of Physics and Chemistry of Solids. 138, 6 p., 109266.

Resultado de la investigación: Article › revisión exhaustiva

4 Citas (Scopus)

Lattice dynamics of FeBO₃ and GaBO₃ crystals: Ab initio calculation

Chernyshev, V. A. & Avram, C. N., 20 mar. 2020, TIM 2019 Physics Conference. Lungu, M., Popescu, A. & Sporea, C. (eds.). American Institute of Physics Inc., Vol. 2218. 6 p. 040005. (AIP Conference Proceedings; vol. 2218).

Resultado de la investigación: Conference contribution › revisión exhaustiva

Phonon Spectrum of Eu₂Sn₂O₇: Ab Initio Calculation

Chernyshev, V. A., Agzamova, P. A. & Arkhipov, A. V., nov. 2020, En: Optics and Spectroscopy. 128, 11, p. 1800-1808 9 p.

Resultado de la investigación: Article › revisión exhaustiva

Rare earth pyrochlores crystals R₂Ge₂O₇ (R=Er, Lu, Yb): Elastic and vibrational properties

Chernyshev, V. A. & Avram, N. M., 20 mar. 2020, TIM 2019 Physics Conference. Lungu, M., Popescu, A. & Sporea, C. (eds.). American Institute of Physics Inc., Vol. 2218. 6 p. 040004. (AIP Conference Proceedings; vol. 2218).

Resultado de la investigación: Conference contribution › revisión exhaustiva

2 Citas (Scopus)

Theoretical study of frustrated magnetic ordering in La1/3Ca2/3MnO3: The role of charge-orbital ordering

Gonchar, L. E., 1 nov. 2020, En: Journal of Magnetism and Magnetic Materials. 513, 10 p., 167248.

Resultado de la investigación: Article › revisión exhaustiva

3 Citas (Scopus)

2019

Ab initio analysis of the optical spectra and EPR parameters of Ni²⁺ ions in CaF₂ and CdF₂ crystals

Andreici Eftimie, E. L., Avram, C. N., Brik, M. G., Chernyshev, V. A. & Avram, N. M., 1 oct. 2019, En: Journal of Luminescence. 214, 9 p., 116577.

Resultado de la investigación: Article › revisión exhaustiva

5 Citas (Scopus)

Elastic properties of rare-earth borate crystals RM(BO₃)₄ (R=Ce-Lu, M= Fe, Al, Ga, Cr): ab initio calculations

Petrov, V. P., Chernyshev, V. A., Nikiforov, A. E. & Avram, N. M., 1 ene. 2019, En: Optical Materials. 87, p. 70-73 4 p.

Resultado de la investigación: Article › revisión exhaustiva

Influence of structure effects and orbital ordering on the magnetic hyperfine field in pyrochlore oxides R2V2O7 (R = Lu, Yb, Tm, Er, Ho) ab initio calculations

Agzamova, P. A., 2019, En: Magnetic Resonance in Solids. 21, 2, 7 p., 19205.

Resultado de la investigación: Article › revisión exhaustiva

Orbital dependence of superexchange interaction in charge-ordered manganites

Gonchar, L. E., 28 nov. 2019, En: Journal of Physics: Conference Series. 1389, 1, 7 p., 012138.

Resultado de la investigación: Conference article › revisión exhaustiva

Acceso abierto

Orbital Ordering Effect on Magnetic Resonance Spectra in Charge-Ordered and Frustrated Manganites

Gonchar, L. E., 1 may. 2019, En: Physics of the Solid State. 61, 5, p. 728-734 7 p.

Resultado de la investigación: Article › revisión exhaustiva

3 Citas (Scopus)

Phonon Spectrum of La₂Zr₂O₇: ab initio Calculation

Chernyshev, V. A., 1 nov. 2019, En: Optics and Spectroscopy. 127, 5, p. 825-831 7 p.

Resultado de la investigación: Article › revisión exhaustiva

4 Citas (Scopus)

Phonon spectrum of Nd2Zr2O7 crystal: ab initio calculation

Chernyshev, V. A., 2019, En: Magnetic Resonance in Solids. 21, 4, 11 p., 19406.

Resultado de la investigación: Article › revisión exhaustiva

Acceso abierto

1 Cita (Scopus)

Structure and Lattice Dynamics of La₂Zr₂O₇ Crystal: Ab Initio Calculation

Chernyshev, V. A., 1 ene. 2019, Computational Science and Its Applications- ICCSA 2019 - 19th International Conference, Proceedings. Murgante, B., Gervasi, O., Stankova, E., Korkhov, V., Misra, S., Torre, C., Tarantino, E., Taniar, D., Rocha, A. M. A. C. & Apduhan, B. O. (eds.). Springer Verlag, Vol. 11622. p. 625-638 14 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 11622 LNCS).

Resultado de la investigación: Conference contribution › revisión exhaustiva

1 Cita (Scopus)

Structure and Lattice Dynamics of MF ₂ (M = Ca, Sr, Ba, Pb) in Cubic and Orthorhombic Phases: The ab initio Calculations

Chernyshev, V. A., Ryumshin, V. S. & Agzamova, P. A., 1 ene. 2019, En: Physics of the Solid State. 61, 1, p. 11-22 12 p.

Resultado de la investigación: Article › revisión exhaustiva

Structure and Lattice Dynamics of Nd2TiO5 and Sm2TiO5 Crystals: Ab Initio Calculation

Chernyshev, V. A. & Ryumshin, V. S., 1 jun. 2019, En: Physics of the Solid State. 61, 6, p. 1086-1098 13 p.

Resultado de la investigación: Article › revisión exhaustiva

Synthesis, structure, and properties of EuErCuS₃

Ruseikina, A. V., Solovyov, L. A., Chernyshev, V., Aleksandrovsky, A. S., Andreev, O. V., Krylova, S. N., Krylov, A. S., Velikanov, D., Molokeev, M. S., Maximov, N. G., Grigoriev, M. V., Garmonov, A. A. & Matigorov, A. V., 15 oct. 2019, En: Journal of Alloys and Compounds. 805, p. 779-788 10 p.

Resultado de la investigación: Article › revisión exhaustiva

10 Citas (Scopus)

2018

Orbital state dependence of insulating manganites’ magnetic ordering

Gonchar, L. E., 1 nov. 2018, En: Journal of Magnetism and Magnetic Materials. 465, p. 661-669 9 p.

Resultado de la investigación: Article › revisión exhaustiva

11 Citas (Scopus)

Raman spectrum of oxyorthosilicate Lu₂SiO₅: Ab initio calculation

Nazipov, D. V. & Nikiforov, A. E., 1 may. 2018, En: Journal of Raman Spectroscopy. 49, 5, p. 872-877 6 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Structure and Lattice Dynamics of RE₃Al₅O₁₂ (RE = Gd–Lu, Y) Rare-Earth Garnets: Ab Initio Calculation

Chernyshev, V. A. & Serdtsev, A. V., 1 nov. 2018, En: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 125, 5, p. 646-654 9 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Vibronic interaction as main reason of magnetic ordering in insulating manganites R_1-xA_xMnO₃

Gonchar, L. & Nikiforov, A., 4 jul. 2018, En: EPJ Web of Conferences. 185, 06005.

Resultado de la investigación: Conference article › revisión exhaustiva

2017

Ab initio calculation of the structure and optical properties of lead oxyhalides Pb₃O₂ X ₂ (X = Cl, Br, I)

Zakiryanov, D. O., Chernyshev, V. A., Zakiryanova, I. D. & Yaroslavtseva, T. V., 1 abr. 2017, En: Physics of the Solid State. 59, 4, p. 710-721 12 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Crystal structure and vibrational properties of RFe3(BO3)(4) (R = Ce - Lu) ferroborate crystal: ab initio calculations: Ab initio calculations

Petrov, V. P., Chernyshev, V. A. & Nikiforov, A. E., 2017, XXV-TH CONGRESS ON SPECTROSCOPY. Vinogradov, EA., Naumov, AV., Gladush, MG. & Karimullin, KR. (eds.). EDP Sciences, Vol. 132. 2 p. (EPJ Web of Conferences; vol. 132).

Resultado de la investigación: Conference contribution › revisión exhaustiva

Elastic properties of rare earth pyrochlores R₂Ti₂O₇ (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu): Ab initio calculations

Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E., Agzamova, P. A. & Avram, N. M., 1 oct. 2017, En: Optical Materials. 72, p. 565-570 6 p.

Resultado de la investigación: Article › revisión exhaustiva

7 Citas (Scopus)

Electronic structure and luminescence properties of Ca2Ge7O16:Dy3+: Dy3+

Leonidov, I. I., Ishchenko, A. V., Konstantinova, E. I., Petrov, V. P., Chernyshev, V. A. & Nikiforov, A. E., 2017, XXV-TH CONGRESS ON SPECTROSCOPY. Vinogradov, EA., Naumov, AV., Gladush, MG. & Karimullin, KR. (eds.). EDP Sciences, Vol. 132. 2 p. (EPJ Web of Conferences; vol. 132).

Resultado de la investigación: Conference contribution › revisión exhaustiva

First principle calculation of structure and lattice dynamics of Lu2Si2O7

Nazipov, D. V. & Nikiforov, A. E., 2017, XXV-TH CONGRESS ON SPECTROSCOPY. Vinogradov, EA., Naumov, AV., Gladush, MG. & Karimullin, KR. (eds.). EDP Sciences, Vol. 132. 2 p. (EPJ Web of Conferences; vol. 132).

Resultado de la investigación: Conference contribution › revisión exhaustiva

Infrared spectroscopy of europium borates EuM ₃(BO₃)₄ (M = Al, Cr, Fe, Ga) with a huntite mineral type of structure

Dobretsova, E. A., Boldyrev, K. N., Chernyshev, V. A., Petrov, V. P., Leonyuk, N. I. & Maltsev, V. V., 1 may. 2017, En: Bulletin of the Russian Academy of Sciences: Physics. 81, 5, p. 546-550 5 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Structural and optical properties of NdxGd1-xCr3(BO3)(4) solid solutions

Dobretsova, E. A., Boldyrev, K. N., Borovikova, E. Y. & Chernyshev, V. A., 2017, XXV-TH CONGRESS ON SPECTROSCOPY. Vinogradov, EA., Naumov, AV., Gladush, MG. & Karimullin, KR. (eds.). EDP Sciences, Vol. 132. 2 p. (EPJ Web of Conferences; vol. 132).

Resultado de la investigación: Conference contribution › revisión exhaustiva

2 Citas (Scopus)

Structure and dynamics of the Lu₂Si₂O₇ lattice: ab initio calculation

Nazipov, D. V. & Nikiforov, A. E., 1 ene. 2017, En: Physics of the Solid State. 59, 1, p. 126-131 6 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Structure and lattice dynamics of Jahn-Teller crystal BiMnO₃: Ab initio calculation

Nazipov, D., Nikiforov, A. & Gonchar, L., 19 may. 2017, En: Journal of Physics: Conference Series. 833, 1, 012006.

Resultado de la investigación: Article › revisión exhaustiva

1 Cita (Scopus)

The crystal structure of rare earth impurity centers R³⁺ in Y₃Al₅O₁₂: Ab Initio calculations

Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E., Avram, C. N., Avram, N. M. & Serdcev, A. V., 11 dic. 2017, TIM 2017 Physics Conference. American Institute of Physics Inc., Vol. 1916. 030005

Resultado de la investigación: Conference contribution › revisión exhaustiva

4 Citas (Scopus)

2016

Exchange interaction in pyrochlore vanadates Lu₂V₂O₇ and Y₂V₂O₇: Ab initio approach

Nazipov, D. V., Nikiforov, A. E. & Chernyshev, V. A., 1 oct. 2016, En: Physics of the Solid State. 58, 10, p. 1989-1994 6 p.

Resultado de la investigación: Article › revisión exhaustiva

1 Cita (Scopus)

Magnetic Hyperfine Fields in Lu2V2O7: A Model Approach

Agzamova, P., Nikiforov, A. & Nazipov, D., 1 dic. 2016, En: Journal of Low Temperature Physics. 185, 5-6, p. 544-550 7 p.

Resultado de la investigación: Article › revisión exhaustiva

1 Cita (Scopus)

Phonon spectra of eulytite crystals Bi₄M₃O₁₂ (M = Ge,Si) : ab initio study

Avram, N. M., Chernyshev, V. A., Andreici, E. L., Petrov, V. P. & Petkova, P., 1 nov. 2016, En: Optical Materials. 61, p. 30-36 7 p.

Resultado de la investigación: Article › revisión exhaustiva

3 Citas (Scopus)

Phonon spectrum of lead oxychloride Pb3O2Cl2: Ab initio calculation and experiment

Zakir’yanov, D. O., Chernyshev, V. A. & Zakir’yanova, I. D., 1 feb. 2016, En: Physics of the Solid State. 58, 2, p. 325-332 8 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Structure, lattice dynamics, and exchange interaction in Lu₂V₂O₇, Y₂V₂O₇: an ab initio approach

Nazipov, D. V., Nikiforov, A. E. & Chernyshev, V. A., 1 oct. 2016, En: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 121, 4, p. 544-548 5 p.

Resultado de la investigación: Article › revisión exhaustiva

1 Cita (Scopus)

Structure and lattice dynamics of PrFe3(BO3)(4): Ab initio calculation

Chernyshev, V. A., Nikiforov, A. E. & Petrov, V. P., jun. 2016, En: Physics of the Solid State. 58, 6, p. 1199-1206 8 p.

Resultado de la investigación: Article › revisión exhaustiva

Structure and lattice dynamics of rare-earth ferroborate crystals: Ab initio calculation

Chernyshev, V. A., Nikiforov, A. E., Petrov, V. P., Serdtsev, A. V., Kashchenko, M. A. & Klimin, S. A., ago. 2016, En: Physics of the Solid State. 58, 8, p. 1642-1650 9 p.

Resultado de la investigación: Article › revisión exhaustiva

16 Citas (Scopus)

The Crystal Structure of Impurity Centers Tm ^{2 +} and Eu ^{2 +} in SrCl ₂: Ab Initio Calculations

Chernyshev, V. A., Serdcev, A. V., Petrov, V. P. & Nikiforov, A. E., 1 dic. 2016, En: Journal of Low Temperature Physics. 185, 5-6, p. 609-617 9 p.

Resultado de la investigación: Article › revisión exhaustiva

Vibrational spectroscopy of GdCr₃(BO₃)₄: Quantitative separation of crystalline phases

Dobretsova, E. A., Boldyrev, K. N., Popova, M. N., Chernyshev, V. A., Borovikova, E. Y., Maltsev, V. V. & Leonyuk, N. I., 13 sept. 2016, En: Journal of Physics: Conference Series. 737, 1, 012035.

Resultado de la investigación: Article › revisión exhaustiva

8 Citas (Scopus)

2015

Effect of pressure on the lattice structure and dynamics of elpasolites Cs2NaRF6 (R = Y, Yb): ab initio calculation

Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E. & Zakir’yanov, D. O., jun. 2015, En: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 118, 6, p. 939-942 4 p.

Resultado de la investigación: Article › revisión exhaustiva

Lattice dynamics of Cs2NaYbF6 and Cs2NaYF6 elpasolites: Ab initio calculation

Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E. & Zakir’yanov, D. O., jun. 2015, En: Physics of the Solid State. 57, 6, p. 1198-1200 3 p.

Resultado de la investigación: Article › revisión exhaustiva

3 Citas (Scopus)

Lattice dynamics of rare-earth titanates with the structure of pyrochlore R2Ti2O7 (R = Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu): Ab initio calculation

Chernyshev, V. A., Petrov, V. P. & Nikiforov, A. E., may. 2015, En: Physics of the Solid State. 57, 5, p. 996-1002 7 p.

Resultado de la investigación: Article › revisión exhaustiva

19 Citas (Scopus)

Magnetic hyperfine interactions at the V-51 nucleus in the pyrochlore Lu2V2O7

Agzamova, P. A., Petrov, V. P., Chernyshev, V. A. & Nikiforov, A. E., ene. 2015, En: Low Temperature Physics. 41, 1, p. 34-38 5 p.

Resultado de la investigación: Article › revisión exhaustiva

2 Citas (Scopus)

Phonon spectra of elpasolites Cs₂NaRF₆ (R=Y,Yb): Ab initio calculations

Chernyshev, V., Petrov, V., Nikiforov, A. & Zakiryanov, D., 8 dic. 2015, TIM 2014, Physics Conference - Physics Without Frontiers. Vizman, D. & Popescu, A. (eds.). American Institute of Physics Publising LLC, Vol. 1694. 5 p. 030004. (AIP Conference Proceedings; vol. 1694).

Resultado de la investigación: Conference contribution › revisión exhaustiva

2 Citas (Scopus)

2014

Hyperfine interactions on magnetic ions nuclei in titanates

Agzamova, P. A., Leskova, Y. V. & Nikiforov, A. E., 1 ene. 2014, TRENDS IN MAGNETISM: NANOMAGNETISM. Ovchinnikov, S. & Samardak, A. (eds.). Trans Tech Publications Ltd., Vol. 215. p. 109-112 4 p. (Solid State Phenomena; vol. 215).

Resultado de la investigación: Conference contribution › revisión exhaustiva

Phonon spectra of YTiO3 and Y2Ti2O 7: Ab initio calculations

Chernyshev, V. A., Petrov, V. P. & Nikiforov, A. E., jun. 2014, En: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 116, 6, p. 864-867 4 p.

Resultado de la investigación: Article › revisión exhaustiva

4 Citas (Scopus)

Specific features of magnetic and electrical hyperfine interactions in titanates according to ab initio calculations

Agzamova, P. A., Leskova, Y. V., Petrov, V. P., Chernyshev, V. A., Zakir'yanov, D. O. & Nikiforov, A. E., dic. 2014, En: Physics of Metals and Metallography. 115, 12, p. 1194-1199 6 p.

Resultado de la investigación: Article › revisión exhaustiva

Structural and vibrational properties of the ordered Y2CaGe 4O12 germanate: A periodic ab initio study

Leonidov, I. I., Petrov, V. P., Chernyshev, V. A., Nikiforov, A. E., Vovkotrub, E. G., Tyutyunnik, A. P. & Zubkov, V. G., 17 abr. 2014, En: Journal of Physical Chemistry C. 118, 15, p. 8090-8101 12 p.

Resultado de la investigación: Article › revisión exhaustiva

16 Citas (Scopus)

The influence of nonlinear vibronic interaction on the BiMnO3 orbital and magnetic structures

Gonchar, L. E. & Nikiforov, A. E., jun. 2014, En: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 116, 6, p. 823-827 5 p.

Resultado de la investigación: Article › revisión exhaustiva

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