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Anharmonicity and local noncentrosymmetric regions in BaTiO3 pressed powder studied by the Raman line temperature dependence / A. M. Pugachev, I. V. Zaytseva, N. V. Surovtsev, A. S. Krylov // Ceram. Int. - 2020. - Vol. 46, Is. 14. - P. 22619-22623, DOI 10.1016/j.ceramint.2020.06.024. - Cited References: 26. - The reported study was funded by RFBR , according to the research project No. 18-02-00399 and 19-42-543-016 , Government of Novosibirsk region No. 19-42-543-016 and State assignment No AAAA-A17-117052410033-9. The experiments were performed in the multiple-access center “High-Resolution Spectroscopy of Gases and Condensed Matter” in IA&E SB RAS (Novosibirsk, Russia) and Center for Common Use of the Krasnoyarsk Scientific Center, SB RAS (Krasnoyarsk, Russia) . - ISSN 0272-8842
Кл.слова (ненормированные):
BaTiO3 -- Non-hydrostatic pressure -- Raman scattering -- Anharmonicity -- Noncentrosymmetric regions
Аннотация: The temperature dependencies of position, width, and integral amplitude the E(TO) line near 307 cm−1 in Raman spectra in barium titanate powders with different non-hydrostatic pressure and temperature treatment were studied. It was found that parameters of the E(TO) line near 307 cm−1 are different in the crystal, the untreated powder, the powder treated by the non-hydrostatic pressure, and the powder annealed after the pressure treatment. The line width (FWHM) increase with temperature according to Klemens model. It indicates that the origin of the line broadening is the anharmonicity of the E(TO) phonons. The pressure treatment changes the anharmonicity of the phonon potential. It was found that the temperature dependence of the integral intensity of the E(TO) line is similar to that of the second optical harmonic signal and reflects the presence of the local polar regions. Thus, the E(TO) line in the Raman spectrum allows one to characterize the average polarity of local regions and their anharmonicity depending on non-hydrostatic pressures and thermal treatment.

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Держатели документа:
Institute of Automation and Electrometry SB RAS, Novosibirsk, 630090, Russian Federation
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Pugachev, A. M.; Zaytseva, I. V.; Surovtsev, N. V.; Krylov, A. S.; Крылов, Александр Сергеевич
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Thermodynamic properties of vanadium oxypentafluoride (IV) (NH4)3VOF5 / E. V. Bogdanov, E. I. Pogoreltsev, A. V. Kartashev [et al.] // Phys. Solid State. - 2020. - Vol. 62, Is. 7. - P. 1271-1279, DOI 10.1134/S1063783420070057. - Cited References: 17. - This study was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activity, project no. 18-42-243003 “Effect of Deuteration on Orientational Ordering and Phase Transitions in Ammonium Fluorine-Oxygen Vanadates” . - ISSN 1063-7834
Кл.слова (ненормированные):
oxyfluorides -- phase transitions -- specific heat -- birefringence -- thermal expansion -- pressure susceptibility
Аннотация: The (NH4)3VOF5 crystals have been synthesized and their homogeneity and single-phase structure has been established by the X-ray diffraction, energy dispersive spectroscopy, and X-ray photoelectron spectroscopy studies. The investigations of the temperature dependences of specific heat, entropy, strain, and pressure susceptibility show the occurrence of three phase transitions caused by the structural transformations in the (NH4)3VOF5 crystals. The T–p phase diagram shows the temperature limits of stability of the crystalline phases implemented in (NH4)3VOF5. The optical and dielectric studies disclose the ferroelastic nature of the phase transitions. An analysis of the experimental data together with the data on the isostructural (NH4)3VO2F4 crystal makes it possible to distinguish the physical properties of oxyfluorides containing vanadium of different valences (IV and V).

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Публикация на русском языке Термодинамические свойства оксипентафторида ванадия (IV), (NH4)3VOF5 [Текст] / Е. В. Богданов, Е. И. Погорельцев, А. В. Карташев [и др.] // Физ. тверд. тела. - 2020. - Т. 62 Вып. 7. - С. 1123-1131

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State Agrarian University, Institute of Engineering Systems and Power, Krasnoyarsk, 660049, Russian Federation
Siberian Federal University, Institute of Engineering Physics and Radio Electronics, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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Calorimetric, dilatometric and DTA under pressure studies of the phase transitions in elpasolite (NH4)2KZrF7 / M. V. Gorev, A. V. Kartashev, E. V. Bogdanov [et al.] // J. Fluor. Chem. - 2020. - Vol. 235. - Ст. 109523, DOI 10.1016/j.jfluchem.2020.109523. - Cited References: 45. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0022-1139
Кл.слова (ненормированные):
Phase transition -- Fluorides -- Heat capacity -- Entropy -- Thermal expansion -- High pressure
Аннотация: Heat capacity, thermal expansion, and sensitivity to the hydrostatic pressure of (NH4)2KZrF7 elpasolite are studied in a wide temperature range. The changes in deformation and entropy during successive phase transitions are determined: Δ(ΔV/V) = 3·10−4; ΔS = 8 J/mol K The temperatures and entropies of phase transitions turned out to be slightly sensitive to pressure changes. An analysis of the entropy of phase transformations was performed in the framework of the model of the cubic phase structure Fm-3 m. In the low temperature phase, an anomalous behavior of thermodynamic properties, which is not characteristic of phase transitions, was observed, accompanied by a significant change in the crystal lattice entropy.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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Anisotropy of piezocaloric effect at ferroelectric phase transitions in ammonium hydrogen sulphate / E. A. Mikhaleva, M. V. Gorev, M. S. Molokeev [et al.] // J. Alloys Compd. - 2020. - Vol. 839. - Ст. 155085, DOI 10.1016/j.jallcom.2020.155085. - Cited References: 31. - The reported study was supported by the Russian Science Foundation (project no. 19-72-00023 ). X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0925-8388
Кл.слова (ненормированные):
Piezocaloric effect -- Phase transition -- Ferroelectrics -- Thermal expansion -- High-pressure -- Entropy
Аннотация: The role of anisotropy of the thermal expansion in formation of piezocaloric effect (PCE) near ferroelectric phase transitions in NH4HSO4 was studied. Strong difference in linear baric coefficients and as a result in intensive and extensive PCE associated with the different crystallographic axes was found. PCE giving the main contribution to the barocaloric effect were determined at both phase transitions. Rather strong effect of the lattice dilatation on the tuning of PCE was observed. Comparative analysis of PCE at the phase transitions in different materials showed that NH4HSO4 can be considered as a promising solid-state refrigerant. A hypothetical cooling cycle based on alternate using uniaxial pressure along two axes was considered.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Single particle Raman spectroscopy analysis of the metal-organic framework DUT-8(Ni) switching transition under hydrostatic pressure / A. Krylov, I. Senkovska, S. Ehrling [et al.] // Chem. Commun. - 2020. - Vol. 56, Is. 59. - P. 8269-8272, DOI 10.1039/d0cc02491k. - Cited References: 40. - This work is financially supported by the Russian Foundation for Basic Research No18-02-00754 and German research foundation (FOR 2433, MOF-switches). The authors would like to thank Dr. V. Bon for support and scientific discussions . - ISSN 1364-548X
Аннотация: Experimental in situ observations of phase coexistence in switchable metal-organic frameworks are reported to provide a fundamental understanding of dynamic adsorbents that can change their pore structure in response to external stimuli. A prototypical flexible pillared layer framework DUT-8(Ni) (DUT = Dresden University of Technology) was studied under hydrostatic pressure by in situ Raman spectroscopy on single crystals. The closing transition of the open pore phase (op) containing DMF in the pores in silicon oil as a pressure transmitting fluid, as well as the closed pore phase (cp) to op transition under pressure in methanol, were studied. Phase coexistences during both transitions were observed.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Chair of Inorganic Chemistry I, Technische Universitat Dresden, Bergstrasse 66, 01069 Dresden, Germany
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Senkovska, I.; Ehrling, S.; Maliuta, M.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusareva, E.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Kaskel, S.
}
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Polukeev, S. I.
Dependence of superexchange interaction in CrO2 on pressure / S. I. Polukeev, V. A. Gavrichkov, S. G. Ovchinnikov // Международная зимняя школа физиков-теоретиков "Коуровка-XXXVIII" : тезисы докладов : Верхняя Сысерть, 23 - 29 февр. 2020 г. - Екатеринбург, 2020. - P. 70. - Cited References: 3. - Support by RSF grant № 18-12-00022 is acknowledged . - ISBN 978-5-9500855-9-8

Материалы конференции,

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Полукеев, Семен Игоревич; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Институт электрофизики УрО РАН; Международная зимняя школа физиков-теоретиков "Коуровка"(38 ; 2020 ; 23-29 февраля ; Верхняя Сысерть, Свердловская обл.); "Коуровка", международная зимняя школа физиков-теоретиков(38 ; 2020 ; февр. ; Верхняя Сысерть, Свердловская обл.)
}
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    The effect of microstructural features on the ferromagnetism of nickel oxide nanoparticles synthesized in a low-pressure arc plasma / A. V. Ushakov, I. V. Karpov, L. Y. Fedorov [et al.] // Physica E. - 2020. - Vol. 124. - Ст. 114352, DOI 10.1016/j.physe.2020.114352. - Cited References: 31. - The work was performed with a support of the grant of the Russian Science Foundation (Project No. 16-19-10054 ). The electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation . - ISSN 1386-9477
   Перевод заглавия: Влияние особенностей микроструктуры на ферромагнетизм наночастиц оксида никеля, синтезированных в дуговой плазме низкого давления
Кл.слова (ненормированные):
Nickel oxide -- Nanoparticles -- Band gap -- Magnetic properties
Аннотация: Nickel oxide nanoparticles were first synthesized by sputtering high-purity nickel in an oxygen plasma of a low-pressure arc discharge. The structure, morphology, and optical and magnetic properties of NiO nanoparticles were studied by XRD, TEM, FTIR, UV-VIS, and VSM. TEM images showed that the obtained NiO nanoparticles have a narrow particle size distribution and an average particle size of 12 nm. The XRD results and the processing of diffractograms by the Rietveld method showed that the obtained nanoparticles have a face-centered cubic lattice with an average particle size of 13 nm. With decreasing temperature, residual stresses increase and peaks corresponding to the superstructure appear. The band gap of NiO was determined from the optical absorption spectrum and amounted to 3.21 eV. Magnetic measurements showed that, at temperatures of 200 and 300 K, NiO nanoparticles, unlike bulk particles, exhibit ferromagnetic behavior, and at 5 K a magnetic hysteresis loop appears. Based on the studies, a dendritic model of the nanoparticle microstructure is proposed.

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Держатели документа:
Federal Research Center “Krasnoyarsk Scientific Center”, Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center”, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Ushakov, A. V.; Karpov, I. V.; Fedorov, L. Y.; Demin, V. G.; Goncharova, E. A.; Shaihadinov, A. A.; Zeer, G. M.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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Size effect on sensitivity to external pressure and caloric effects in TGS: Ceramics and nanocomposites / E. A. Mikhaleva, I. N. Flerov, E. V. Bogdanov [et al.] // Mater. Today Commun. - 2020. - Vol. 25. - Ст. 101463, DOI 10.1016/j.mtcomm.2020.101463. - Cited References: 39 . - ISSN 2352-4928
Кл.слова (ненормированные):
Ferroelectric nanocomposite -- Phase transition -- High pressure -- Caloric effects
Аннотация: Experimental study of temperature-pressure phase diagrams revealed a slight difference in the sensitivity to hydrostatic pressure of triglycine sulfate (TGS) as a bulk (single crystal, ceramics), and nanoparticles embedded in porous glass (TGS + PG). An analysis of the pressure sensitivity, dT0/p and dT0/dσ, and entropies of the P21 ↔ P21/m phase transition showed the closeness of the barocaloric parameters in various materials under study. Due to the strong anisotropy of thermal expansion, the piezocaloric effect under pressure along the axis c exceeds the barocaloric effect in single-crystal TGS. The reasons for the strong reduction in the electrocaloric effect in the ferroelectric component of nanocomposites compared with a single-crystal are discussed.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation
Department of Experimental Physics, Wroclaw University of Science and Technology, Wroclaw, 50-370, Poland

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Flerov, I. N.; Флёров, Игорь Николаевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Gorev, M. V.; Горев, Михаил Васильевич; Rysiakiewicz-Pasek, E.
}
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    Pressure-Induced Structural Transition to the Polar Phase in GdFe3(BO3)4 / I. S. Lyubutin [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 12. - P. 6935-6944, DOI 10.1021/acs.cgd.9b00609. - Cited References: 39. - The authors express their deep gratitude to Prof. S. G. Ovchinnikov for initiating this work and fruitful discussions. These studies were performed with the support of the Ministry of Science and Higher Education within the State assignment FSRC "Crystallography and Photonics" RAS in part for the synchrotron Mössbauer measurements. Support from RFBR Grant No. 17-02-00766 in part for the Raman spectroscopy measurements and from No. 18-02-00696 in part for the theoretical calculations is also acknowledged. For preparation and tests of high-pressure cells, (39) the facilities of Center for Collective Use “Accelerator Center for Neutron Research of the Structure of Substance and Nuclear Medicine” of the INR RAS were used. . - ISSN 1528-7483
   Перевод заглавия: Индуцированный давлением структурный переход в полярную фазу в GdFe3(BO3)4
Кл.слова (ненормированные):
Boron -- Crystal lattices -- Ferroelectricity -- Ions -- Iron compounds
Аннотация: The GdFe3(BO3)4 crystal has attracted great interest as a magnetic-field-induced multiferroic. In this paper, we show that the multiferroic properties in this crystal can be induced by high pressure. At high pressures up to 50 GPa, created in diamond anvil cells, the structural and vibrational (phonon) properties of the GdFe3(BO3)4 crystal were studied. The structural phase transition was detected at about 23–25 GPa by Raman and synchrotron Mössbauer (NFS) spectroscopy. First-principle calculations of the crystal lattice dynamics at pressures below and above the structural transition were carried out. It was established that at pressures above the structural transition, the space group R32 of GdFe3(BO3)4 is changed to the polar space group R3, and the crystal becomes a ferroelectric. At the R32 → R3 transition, the displacement of the boron ion B(2) and oxygen O results in the formation of boron–oxygen B(2)O4 tetrahedrons instead of the plane BO3 triangles. Meanwhile, the triangle oxygen environment of boron in the site B(1) remains unchanged. The nearest environment of the gadolinium ion also changes significantly. Instead of six oxygen ions in the R32 phase, the nearest surroundings of Gd in the R3 phase consist of nine oxygen ions forming a complex polyhedron. A large hysteresis of the transition indicates that this crystal remains a ferroelectric with a decrease in pressure to about ambient pressure.

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Держатели документа:
Shubnikov Institute of Crystallography of FSRC Crystallography and Photonics RAS, Moscow, 119333, Russian Federation
Institute for Nuclear Research, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
REC Functional Nanomaterials, Immanuel Kant Baltic Federal University, Kaliningrad, 236041, Russian Federation

Доп.точки доступа:
Lyubutin, I. S.; Gavriliuk, A. G.; Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Lyubutina, M. V.; Troyan, I. A.; Smirnova, E. S.
}
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10.

    Gavrichkov, V. A.
    Cation spin and superexchange interaction in oxide materials below and above spin crossover under high pressure / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov. - Electronic text data // ArXiv. - 2019. - Ст. 1911.06482. - Cited References: 63. - We acknowledge the support of the Russian Science Foundation through Grant 18-12-00022.
Рубрики:
Materials Science
   Strongly Correlated Electrons
Аннотация: We derived simple rules for the sign of superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high pressure. The superexchange interaction between two cations in dn configurations is given by a sum of individual contributions related to the electron-hole virtual excitations to the different states of the dn+1 and dn−1 configurations. Using these rules, we have analyzed the sign of the superexchange interaction of a number of oxides with magnetic cations in electron configurations from d2 till d8: the iron, cobalt, chromium, nickel, copper and manganese oxides with increasing pressure. The most interesting result concerns the magnetic state of cobalt and nickel oxides CoO, Ni2O3 and also La2CoO4, LaNiO3 isostructural to well-known high-TC and colossal magnetoresistance materials. These oxides have a spin 12 at the high pressure. Change of the interaction from antiferromagnetic below spin crossover to ferromagnetic above spin crossover is predicted for oxide materials with cations in d5(FeBO3) and d7(CoO) configurations, while for materials with the other dn configurations spin crossover under high pressure does not change the sign of the superexchange interaction.

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Держатели документа:
Kirensky Institute of Physics, Akademgorodok 50, bld.38, Krasnoyarsk, 660036 Russia

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
}
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