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

Resultados de investigaciones

Resultados de investigaciones por año 2014 2016 2017 2019 2020 2020

• 38 Article
• 10 Conference contribution
• 2 Conference article

Resultados de investigaciones por año

Resultados de investigaciones por año

Resultados de la búsqueda

• 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

  • vibrational spectra 100%
  • argon lasers 39%
  • room temperature 32%
  • electron phonon interactions 32%
  • monochromators 32%
  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

  • Lattice vibrations 100%
  • Vibrational spectra 85%
  • Lattice Dynamics 79%
  • Crystal System 61%
  • vibrational spectra 60%
  4 Citas (Scopus)

• 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

  • Phonons 100%
  • Raman scattering 92%
  • Fundamental Vibration 89%
  • Elasticity Constant 87%
  • Elastic constants 86%

• 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

  • Magnetic structure 100%
  • Magnetic Ordering 82%
  • Magnetization 76%
  • Magnetic Structure 56%
  • Manganites 55%
  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

  • Spectrum Analysis 100%
  • optical spectrum 93%
  • Ions 84%
  • ligands 68%
  • Cubic Space Group 67%
  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

  • Borates 100%
  • Ligands 91%
  • Rare earths 84%
  • borates 79%
  • ligands 69%

• 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

  • Magnetic Hyperfine Field 100%
  • Anisotropy 59%
  • Ions 58%
  • Magnetic fields 55%
  • Ab Initio Calculation 54%

• 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

  • Antiferromagnetic Resonance 100%
  • Spin Wave 85%
  • Manganites 81%
  • Magnetic Structure 62%
  • Exchange Interaction 53%
  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

  • Phonons 100%
  • Fundamental Vibration 89%
  • Elasticity Constant 87%
  • Elastic constants 86%
  • Periodic structures 85%
  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

  • Phonons 100%
  • Fundamental Vibration 89%
  • Phonon 71%
  • Crystals 63%
  • Ab Initio Calculation 55%
  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

  • Lattice vibrations 100%
  • Lattice Dynamics 79%
  • Crystals 53%
  • Ab Initio Calculation 46%
  • Cubic Space Group 44%

• 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

  • Lattice vibrations 100%
  • Phonons 84%
  • IR Reflectance Spectrum 83%
  • Density functional theory 80%
  • Lattice constants 79%

• 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

  • Crystal structure 100%
  • Optical band gaps 77%
  • Vibrational spectra 61%
  • Phonons 61%
  • X ray powder diffraction 58%
  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

  • Manganites 100%
  • Magnetic structure 90%
  • Magnetic Ordering 75%
  • Magnetization 69%
  • Magnetic Structure 55%
  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

  • Raman scattering 100%
  • Structure Parameter 85%
  • Wavenumber 71%
  • Molecular Orbital 63%
  • Ab Initio Calculation 59%
  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

  • Lattice vibrations 100%
  • Garnets 85%
  • Yttrium aluminum garnet 81%
  • Lattice Dynamics 79%
  • Rare earths 66%
  2 Citas (Scopus)
• 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

  • oxyhalides 100%
  • Phonons 90%
  • Optical properties 71%
  • Phonon 65%
  • Ab Initio Calculation 50%
  2 Citas (Scopus)

• 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

  • Rare earths 100%
  • Elasticity Constant 74%
  • Elastic constants 73%
  • Ab Initio Calculation 70%
  • rare earth elements 69%
  7 Citas (Scopus)

• 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

  • europium 100%
  • borates 95%
  • minerals 82%
  • infrared spectra 79%
  • infrared spectroscopy 75%
  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

  • Raman scattering 100%
  • Ab Initio Calculation 89%
  • Raman Spectrum 84%
  • Fundamental Vibration 72%
  • Lutetium 68%
  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

  • crystal structure 100%
  • density functional theory 97%
  • crystals 61%
  • infrared spectra 60%
  • functionals 59%
  1 Cita (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

  • Exchange interactions 100%
  • vanadates 74%
  • Exchange Interaction 61%
  • Exchange coupling 33%
  • Excited states 30%
  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

  • Exchange interactions 100%
  • Magnetic Hyperfine Field 86%
  • Vanadium 67%
  • Crystal Field 63%
  • Exchange Interaction 61%
  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

  • Phonons 100%
  • Phonon 71%
  • Crystals 63%
  • Bismuth 56%
  • phonons 43%
  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

  • Phonons 100%
  • Phonon 71%
  • Lead 58%
  • Ab Initio Calculation 55%
  • IR Spectrum 54%
  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

  • Lattice vibrations 100%
  • Exchange interactions 98%
  • Lattice Dynamics 79%
  • Crystal structure 69%
  • Exchange Interaction 60%
  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

  • Lattice vibrations 100%
  • Lattice Dynamics 79%
  • Ions 49%
  • Praseodymium 49%
  • Ab Initio Calculation 46%

• 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

  • Lattice vibrations 100%
  • Lattice Dynamics 79%
  • Rare earths 66%
  • Crystals 53%
  • Ions 49%
  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

  • Crystal structure 100%
  • Impurities 74%
  • Thulium 74%
  • Lattice vibrations 72%
  • Europium 69%

• 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

  • borates 100%
  • infrared spectroscopy 52%
  • spectroscopy 45%
  • crystals 28%
  • crystal structure 22%
  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)
• 2014

  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

  • Phonons 100%
  • Phonon 71%
  • Lattice vibrations 59%
  • Ab Initio Calculation 55%
  • Lattice Dynamics 47%
  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

  • germanates 100%
  • Structural properties 82%
  • P4/Nbm 73%
  • functionals 71%
  • Rietveld refinement 67%
  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

  • Magnetic structure 100%
  • Magnetic Structure 85%
  • Crystals 63%
  • Orbital 53%
  • manganese ions 45%