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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Yurev I. O., Aleksandrovsky A. S., Kamaev D. N., Polkovnikov A. A., Grigorchenko V. M., Yarovenko A. A., Zelenaya A. E., Parfenova M. D., Andreev O. V.
Заглавие : The Sm2S3-X-SmS-Sm2O2S refractory system: thermal analysis, phase diagram, and properties of the phases
Колич.характеристики :17 с
Место публикации : J. Therm. Anal. Calorim. - 2024. - Vol. 149, Is. 5. - P.2057-2073. - ISSN 13886150 (ISSN), DOI 10.1007/s10973-023-12792-z. - ISSN 15882926 (eISSN)
Примечания : Cited References: 90. - The authors thank Prof. P.P. Fedorov, Chief Researcher of Prokhorov Institute of General Physics, Russian Academy of Sciences, for scientific advices. The authors thank N.I. Lozhkin, engineer of the Department of Inorganic and Physical Chemistry, Tyumen State University for the technical support of the visual thermal analysis setup. The authors thank N.A. Shulaev, research engineer of the Center for Nature-Inspired Engineering, Tyumen State University, for determining the elemental composition of samples by scanning electron microscopy. The authors thank I.V. Palamarchuk, research engineer of the Center for Collective Use "Rational Nature Management and Physical and Chemical Research" of the Tyumen State University, for measuring the diffuse reflectance spectra. The authors thank Doctor of Philology O.V. Trofimova, Professor at the Institute of Social Sciences and Humanities of the Tyumen State University, for her advices on academic writingThis study was funded by the Russian Science Foundation, Project No. 23–23-00488 “Search for EMF generation conditions in gradient ceramics of samarium monosulfide (SmS)”
Аннотация: Samarium monosulfide, a strain gauge and barometric material, exists in equilibrium with Sm3S4 and Sm2O2S in the S-Sm–O system. Therefore, studying phase equilibria in the refractory Sm2S3-X-SmS-Sm2O2S system is a scientifically interesting task. In this system, 49 samples were synthesized and studied by powder XRD, differential scanning calorimetry, visual thermal analysis, and microstructural analysis. Melting points of Sm3S4, SmS, and Sm2O2S compounds were determined. Eutectic diagrams of Sm3S4-Sm2O2S, SmS-Sm2O2S, SmS-Sm3S4 systems were constructed. Temperatures and compositions of the binary eutectic points were determined. Fusion enthalpies for Sm3S4, SmS, and Sm2O2S phases were estimated using the Schröder–Le Chatelier equation. The liquidus lines were calculated using second-degree polynomials and Redlich–Kister model. Coordinates of the ternary eutectic point in the Sm3S4-SmS-Sm2O2S system were calculated using the cutting-plane method and the Scheffé method. The calculated compositions of ternary eutectic points were averaged at one most probable point, in accordance with the data on the samples microstructure. The experimental temperature of the ternary eutectic point coincides with the calculated values within the margin of error. Positions of eutectic valleys and approximate positions of isotherms in the system were established. Thermodynamic parameters of the α-Sm2S3 → γ-Sm2S3 polymorphic transition and the dependence of the Sm2S3-X composition on heat treatment conditions were determined. According to the scanning electron microscopy data, the approximate composition of the crystallized from the melt Sm2S3 sample is Sm2S2.95. The Sm10S14O phase decomposes at 1470 ± 15 °C in the course of a solid-phase reaction. The phase diagram of the Sm2S3-X-Sm2O2S system was revisited. Optical band gaps of Sm10S14O and Sm2O2S phases were determined. The Sm10S14O compound was optically characterized for the first time; its direct and indirect optical bandgaps were found equal to 2.48 and 2.37 eV, respectively. The determined direct and indirect optical bandgaps of Sm2O2S (4.4 eV and 3.95 eV, respectively) agree with the earlier measurements, thus confirming the accuracy of the chosen synthesis procedures.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Bogdanov E. V., Laptash N. M.
Заглавие : Chemical pressure as an effective tool for tuning the structural disordering and barocaloric efficiency of complex fluorides (NH4)3MF7 (M: Sn, Ti, Ge, Si)
Колич.характеристики :18 с
Место публикации : J. Phys. D: Appl. Phys. - 2024. - Vol. 57, Is. 17. - Ст.175301. - ISSN 00223727 (ISSN), DOI 10.1088/1361-6463/ad211b. - ISSN 13616463 (eISSN)
Примечания : Cited References: 39. - The study was supported by a Grant from the Russian Science Foundation No. 23-22-00115, https://rscf.ru/project/23-22-00115/
Аннотация: Double fluoride salts (NH4)3M4+F7 (M4+: Sn, Ti, Ge, Si) demonstrate a high efficiency of using chemical pressure as a tool for control and tuning structural ordering/disordering, sensitivity to hydrostatic pressure, successions of the phase transitions, etc and, as a result, for purposeful variation within a wide range of parameters of barocaloric effect (BCE). The conventional and inverse BCEs near the triple points were found on the T − p phase diagrams, combination of which can be used to construct original cooling cycle in narrow temperature and pressure ranges. Reconstructive transformation between two cubic phases, Pm3-m ↔ Pa3-, realized in (NH4)3SnF7 at atmospheric pressure and in (NH4)3TiF7 at p ˃ 0.4 GPa are characterized by rather low thermal hysteresis, δT0 = 1 K, and a great entropy change, ΔSBCE = 110–152 J (kg · K)−1, depending on the size of the central atom. At above 300–350 K, a contribution to BCE associated with the regular thermal expansion of the crystal lattice becomes comparable to entropy and temperature changes under pressure in the region of the phase transitions. An analysis of the absolute, relative and integral barocaloric characteristics of (NH4)3M4+F7 compounds showed their high competitiveness with respect to other barocaloric materials considered as promising solid-state refrigerants.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grigorchenko V.M., Molokeev M. S., Oreshonkov A. S., Aleksandrovsky A. S., Kertman A.V., Abulkhaev M.U., Mereshchenko A.S., Yurev I.O., Shulaev N.А., Kamaev D.N., Elyshev A.V., Andreev O.V.
Заглавие : Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system
Колич.характеристики :9 с
Место публикации : J. Solid State Chem. - 2024. - Vol. 333. - Ст.124640. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2024.124640. - ISSN 1095726X (eISSN)
Примечания : Cited References: 48. - This research was funded by the Tyumen Oblast Government as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3)The studies ab initio simulation of electron band structure, analysis of optical properties, XRD analysis was partially supported by "Priority-2030" program for the Siberian Federal University, and the state assignment of Kirensky Institute of Physics
Аннотация: The NdF3–Nd2S3 system attracts attention of researchers due to the possibility of using LnSF compounds (Ln = rare earth element) as possible new p- and n-type materials. The samples of this system were synthesized from NdF3 and Nd2S3. The NdSF compound belongs to the PbFCl structural type, P4/nmm space group, unit cell parameters: a = 3.9331(20) Å, c = 6.9081(38) Å. The experimentally determined direct and indirect NdSF bandgaps are equal to 2.68 eV and 2.24 eV. The electronic band structure was calculated via DFT simulation. The NdSF compound melts congruently at T = 1385 ± 10°С, ΔНm = 40.5 ± 10 kJ/mol, ΔS = 24.4 ± 10 J/mol. The NdSF microhardness is 455 ± 10 HV. Five phase transformations in the NdF3–Nd2S3 system were recorded by DSC; their balance equations were derived. The liquidus of the system calculated from the Redlich–Kister equation is fully consistent with the DSC data.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gamov, Alexander, Zlotnikov A. O.
Заглавие : Fermion parity of phases supporting multiple Majorana modes in a superconducting nanowire
Колич.характеристики :10 с
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2023. - Vol. 16, Is. 6. - P.820-829. - ISSN 19971397 (ISSN); Журн. СФУ. Матем. и физ. - ISSN 23136022 (eISSN)
Примечания : Cited References: 22. - Gamov A. acknowledges the support of the Theoretical Physics and Mathematics Advancement Foundation "BASIS"
Аннотация: The fermion parity of the ground state is determined in various topological phases of the semiconducting nanowire under external magnetic field with proximity-induced superconductivity and strong spin-orbit interaction. Electron hopping as well as spin-flip hopping due to spin-orbit coupling and superconducting pairings in the second coordination sphere are taken into account. The connection between the fermion parity and the parity of the BDI topological invariant is shown. The formation of topological phases with three and four pairs of Majorana modes has been demonstrated.Для полупроводниковой нанопроволоки, помещенной во внешнее магнитное поле, с наведенной сверхпроводимостью и сильным спин-орбитальным взаимодействием определена фермионная четность основного состояния в различных топологических фазах при учете перескоков электронов, включая перескоки с переворотом спина за счет спин-орбитальной связи, и сверхпроводящих спариваний во второй координационной сфере. Показана связь фермионной четности и четности BDI топологического инварианта. Продемонстрировано формирование топологических фаз с тремя и четырьмя парами майорановских мод.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Martynov S. N.
Заглавие : Orbital structure and magnetic phase diagram of the four-sublattice ferromagnet PbMnBO4
Место публикации : J. Magn. Magn. Mater. - 2023. - Vol. 570. - Ст.170520. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2023.170520. - ISSN 18734766 (eISSN)
Примечания : Cited References: 20. - The author thanks A.D. Balaev for useful discussions of the magnetic measurements
Аннотация: A role of quadric and quartic single-ion anisotropy (SIA) of Mn3+-ions, dipole–dipole and Dzyaloshinsky–Moriya (DM) interactions for the magnetic ordering of the four-sublattice ferromagnet PbMnBO4 is investigated. A phase diagram of low-lying magnetic phases on the plane of the DM exchange components is obtained for different values of the SIA parameters. An effect of the isotropic interchain exchange on the spin orientation and, as a result, on the SIA energy in different magnetic phases is considered at the comparable values of the interactions. The determinative role of DM exchange for the magnetic anisotropy of PbMnBO4 is discussed.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Abulkhaev M. U., Molokeev M. S., Oreshonkov A. S., Aleksandrovsky A. S., Kertman A. V., Kamaev D. N., Trofimova O. V., Elyshev A. V., Andreev O. V.
Заглавие : Properties of GdSF and phase diagram of the GdF3 - Gd2S3 system
Место публикации : J. Solid State Chem. - 2023. - Vol. 322. - Ст.123991. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2023.123991. - ISSN 1095726X (eISSN)
Примечания : Cited References: 44. - The authors of the article are grateful to P.P. Fedorov for valuable critical comments on the manuscriptThis research was funded by the Tyumen Oblast Government, as a part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3)
Аннотация: The objectives of this study were to refine the phase diagram of the GdF3-Gd2S3 system and to calculate their liquidus, and to synthesize GdSF and to study their properties. The GdSF compound (ST PbFCl, P4/nmm, a (Å) 3.83006(17), c (Å) 6.8529(3), has an optical band gap for a direct interband transition of 2.56 ​eV and is characterized by a pronounced increase in the Kubelka-Munk function in the region of this transition. Direct optical bandgap of GdSF is measured to be equal to 2.77 ​eV. Two indirect bandgaps are detected to be 1.54 and 2.4 ​eV. Meta-GGA simulations of band structure predicting 1.481 ​eV direct bandgap of GdSF are in good agreement with these features of the experimental absorption spectrum. To explain this complicated case, we argue that formally direct optical transitions to highly dispersive subbands contribute not to direct but to indirect bandgaps measured by Tauc analysis. The GdSF compound melts incongruently with the formation of a melt and γ-Gd2S3 compound at t ​= ​1280 ​± ​2°С, ΔН ​= ​40.6 ​± ​2.8 ​kJ/mol, ΔS ​= ​26.1 ​± ​1.8 ​J/mol∗K. The eutectic has a composition of 13 ​mol.% Gd2S3 (0.74 GdF3 ​+ ​0.26 GdSF), the melting characteristics of the eutectic are 1182 ​± ​2°С, ΔН ​= ​36.2 ​± ​2.5 ​kJ/mol, ΔS ​= ​24.9 ​± ​1.7 ​J/mol∗K. In the system GdF3 - Gd2S3 the balance equations for five phase transformations recorded by the DSC method were compiled. Convergence was achieved in the liquidus of the system constructed according to DSC data and calculated with the use of the Redlich-Kister equation.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Vtyurin A. N., Gudim I. A., Nemtsev I. V., Krylova S. N.
Заглавие : Phase diagram and soft modes behavior TbFe3–xGax(BO3)4 solid solutions with huntite structure
Колич.характеристики :9 с
Место публикации : Opt. Spectrosc. - 2023. - Vol. 131, Is. 9. - P.840-848. - ISSN 0030400X (ISSN), DOI 10.1134/S0030400X23070081. - ISSN 15626911 (eISSN)
Примечания : Cited References: 40. - The authors are grateful to the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory and the Krasnoyarsk Regional Science Foundation for funding within the framework of the scientific project, grant no. 20-42-240009 r_a_Krasnoyarsk, as well as the Russian Foundation for Basic Research and the German Scientific Research Community (Deutsche Forschungsgemeinschaft) for financial support within the project no. 21-52-12018 NNIO_a
Аннотация: The Raman spectra of four crystals of TbFe3–xGax(BO3)4 solid solutions (x from 0 to 0.54) were studied in the temperature range from 8 to 350 K. The temperatures of structural phase transitions were determined. The observed spectral behavior is characteristic to condensation and restoration of soft modes. Soft modes are associated with a structural phase transition from the R32 phase to the P3121 phase. The Compositions-Temperature phase diagram was constructed.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Gavrichkov V. A., Ovchinnikov S. G.
Заглавие : Exchange interaction between the high spin Co3+ states in LaCoO3
Место публикации : Comput. Mater. Sci. - 2022. - Vol. 204. - Ст.111134. - ISSN 09270256 (ISSN), DOI 10.1016/j.commatsci.2021.111134
Примечания : Cited References: 59. - We are thankful to the Russian Science Foundation, Russia for the financial support under the project 18-12-00022
Аннотация: The formation of the exchange interaction between HS Co3+ ions, which are excited in LaCoO3, is studied within the multielectron approach. Two main contributions appear to be antiferromagnetic (AFM) and ferromagnetic (FM). When the ground state is LS, the total interaction is AFM. The crossover to the HS state may result in the FM ordering. The mean-field magnetic phase diagrams on the plane spin gap-temperature have been calculated without and with spin-orbital interaction in the HS term. Without spin-orbital interaction the reentrant magnetic order is possible. The spin-orbital coupling removes the reentrant phase transition and stabilizes the LS state. For known from experimental data values of the spin gap and exchange interaction, the ideal stoichiometric LaCoO3 is very close to the LS–HS crossover and magnetic ordering border. The violations of local coordination and symmetry of the Co3+-oxygen complexes that take place in the intergrain boundaries, at the surface of single crystals, and in the thin films on the strained substrate, may result in the formation of the HS state and FM order for such materials.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shtykova M. A., Molokeev M. S., Zakharov B. A., Selezneva N. V., Aleksandrovsky A. S., Bubnova R. S., Kamaev D. N., Gubin A. A., Habibullayev N. N., Matigorov A. V., Boldyreva E. V., Andreev O. V.
Заглавие : Structure and properties of phases in the Cu2-ХSe-Sb2Se3 system. The Cu2-XSe-Sb2Se3 phase diagram
Место публикации : J. Alloys Compd. - 2022. - Vol. 906. - Ст.164384. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2022.164384
Примечания : Cited References: 111. - The research was supported for R.S. Bubnova by the Ministry of Science and Higher Education of the Russian Federation within the scientific tasks of the Institute of Silicate chemistry (Russian Academy of Sciences) [project number 0097-2019-0013]. The equipment of Research and Education Center "Molecular design and ecologically safe technologies" (Novosibirsk State University) was used for single-crystal X-ray diffraction experiments. BAZ and EVB acknowledge support by the Ministry of Science and Higher Education, project AAAA-A21-121011390011-4
Аннотация: The phase diagram of the Cu2−XSe-Sb2Se3 system is revisited to clarify ambiguity/disagreement in previously reported data. Ternary Cu3SbSe3 and CuSbSe2 compounds were obtained. In order to confirm that the phases have been identified correctly, crystal structures were solved, and the energy band gaps measured. For the sample containing 75 mol% Sb2Se3 and 25 mol% Cu1.995Se the temperature range of the stability of the high-temperature CuSb3Se5 phase was determined for the first time. This phase is formed at 445 °С, decomposes following a peritectic reaction at 527 °С, and can be quenched. A high-temperature X-ray diffraction study of a sample containing 75 mol% Sb2Se3 and 25 mol% Cu2Se allowed us to measure the thermal expansion of the CuSbSe2 and Sb2Se3 phases present in the sample. The anisotropy of thermal expansion of CuSbSe2 is similar to that of As2S3 (orpiment); thermal expansion of Sb2Se3 is similar to that of AsS (realgar). The 6 balance equations of the invariant phase transformations involving all the ternary compounds existing in the Cu2−XSe-Sb2Se3 system were suggested for the first time. The temperature and the enthalpies of all these transformations were measured. A phase diagram of the Cu2−XSe-Sb2Se3 system was found for the first time in all the range of concentrations at temperatures from ambient to the complete melting. This diagram takes into consideration the phase equilibria that involve all the ternary compounds that are possible in this system. The liquidus of the Cu2−XSe-Sb2Se3 system was calculated according to Redlich-Kister equation; it agrees with the experimental data within 1–17 °С.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Pavlovskiy M. S., Kitaev Y., Gudim I. A., Andryshin N. D., Vtyurin A. N., Jiang, Qinghui, Krylova S. N.
Заглавие : Phase transitions and p–T phase diagram of the multiferroic TbFe3(BO3)4 crystal
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240009]; Russian Foundation for Basic Research and DFG (Deutsche Forschungsgemeinschaft)German Research Foundation (DFG) [448809307, 21-52-12018]
Место публикации : J. Raman Spectrosc. - 2022. - Vol. 53, Is. 6. - P.1179-1187. - ISSN 0377-0486, DOI 10.1002/jrs.6341. - ISSN 1097-4555(eISSN)
Примечания : Cited References: 48. - Russian Foundation for Basic Research; RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, Grant/Award Number: 20-42-240009; Russian Foundation for Basic Research and DFG (Deutsche Forschungsgemeinschaft), Grant/Award Numbers: 448809307, 21-52-12018
Предметные рубрики: BILBAO CRYSTALLOGRAPHIC SERVER
RAMAN-SPECTRA
HIGH-TEMPERATURE
Аннотация: The structural phase transitions in multiferroic TbFe3(BO3)4 with change hydrostatic pressures and temperatures have been studied by Raman spectroscopy and calculation within density functional theory. Lattice dynamics calculations in the TbFe3(BO3)4 crystal in the 32 phase under various values of applied hydrostatic pressure (from 0 up to 5 GPa with 1 GPa step) were performed. The calculation performed in this work in a TbFe3(BO3)4 crystal showed that the applied pressure can increase the phase transition temperature. Raman spectra of the TbFe3(BO3)4 crystal have been investigated at simultaneously high temperature and high pressure (up to 5.14 GPa and 465 K). The appearance of a soft mode was observed with decreasing temperature at normal pressure. The manifestations of the interaction of the structural and magnetic order parameters in the range from 13 to 50 K were observed at normal pressure. With increasing pressure and a fixed temperature, recovery of the soft modes is also observed. The experimental p–T phase diagram of TbFe3(BO3)4 was established. An increase in pressure leads to an increase in the temperature of transition.
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