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Thermochemistry, structure, and optical properties of a new β-La2(SO4)3 polymorphic modification / S. A. Basova, M. S. Molokeev, A. S. Oreshonkov [et al.] // Inorganics. - 2023. - Vol. 11, Is. 11. - Ст. 434, DOI 10.3390/inorganics11110434. - Cited References: 58. - The work was partly carried out within the framework of the Strategic Academic Leadership Program “Priority-2030” for the Kazan Federal University and the state assignment of the Kirensky Institute of Physics. - We acknowledge Lisa-Marie Wagner (JLU Giessen) for help with X-ray powder diffractometry, and Svetlana Volkova and Irina Palamarchuk (UTMN) for help with IR- and UV-spectrometry. The use of equipment provided by the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged . - ISSN 2304-6740
Кл.слова (ненормированные):
rare earths -- lanthanum -- sulfate -- crystal chemistry -- thermodynamics -- chemical kinetics -- dielectrics
Аннотация: A new polymorphic modification of lanthanum sulfate was obtained by thermal dehydration of the respective nonahydrate. According to powder X-ray diffraction, it was established that β-La2(SO4)3 crystallized in the C2/c space group of the monoclinic system with the KTh2(PO4)3 structure type (a = 17.6923(9), b = 6.9102(4), c = 8.3990(5) Å, β = 100.321(3)°, and V = 1010.22(9) Å3). Temperature dependency studies of the unit cell parameters indicated almost zero expansion along the a direction in the temperature range of 300–450 K. Presumably, this occurred due to stretching of the [LaO9]n chains along the c direction, which occurred without a significant alteration in the layer thickness over the a direction. A systematic study of the formation and destruction processes of the lanthanum sulfates under heating was carried out. In particular, the decisive impact of the chemical composition and formation energy of compounds on the thermodynamic and kinetic parameters of the processes was established. DFT calculations showed β-La2(SO4)3 to be a dielectric material with a bandgap of more than 6.4 eV. The processing of β-La2(SO4)3 with the Kubelka–Munk function exhibited low values below 6.4 eV, which indicated a fundamental absorption edge above this energy that was consistent with LDA calculations. The Raman and infrared measurements of β-La2(SO4)3 were in accordance with the calculated spectra, indicating that the obtained crystal parameters represented a reliable structure.

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Держатели документа:
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen 625003, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Laboratory of Theory and Optimization of Chemical and Technological Processes, Tyumen State University, Tyumen 625003, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
A.M. Butlerov Chemistry Institute, Kazan Federal University, Kazan 420008, Russia
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, 35392 Giessen, Germany
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia
Departement of Science and Innovation, Northern Trans-Ural Agricultural University, Tyumen 625003, Russia
School of Natural Sciences, Tyumen State University, Tyumen 625003, Russia
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, 35392 Giessen, Germany
Construction Institute, Industrial University of Tyumen, Tyumen 625000, Russia

Доп.точки доступа:
Basova, S. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Zhernakov, M. A.; Khritokhin, N. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Sal’nikova, E. I.; Azarapin, N. O.; Shelpakova, N. A.; Muller-Buschbaum, K.; Denisenko, Yu. G.
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Zinenko, V. I.
Thermodynamics of spin ice on an antiperovskite lattice in the cluster approximation / V. I. Zinenko // Phys. Solid State. - 2023. - Vol. 65, Is. 7. - P. 1203-1207, DOI 10.21883/PSS.2023.07.56415.63. - Cited References: 9 . - ISSN 1063-7834. - ISSN 1090-6460
Кл.слова (ненормированные):
phase transitions -- magnetism -- competing interactions
Аннотация: Low-temperature thermodynamic properties of spin ice have been studied for compounds with the structure of antiperovskite containing rare-earth ions with the general chemical formula ReMeO (where Re - is a rare-earth element, Me - is a divalent metal). The calculations were carried out in the cluster approximation. The cases of undistorted and distorted ORe6 octahedron are discussed. In the case of an undistorted octahedron in the absence of an external magnetic field, the ground state of the system is infinitely degenerate. When an external magnetic field is applied, anomalies in the temperature dependences of heat capacity, entropy and magnetization are detected. In the case of a distorted octahedron and assuming that this distortion leads to the energy efficiency of two of the sixty-four configurations, it is obtained that there is a phase transition in the system of magnetic rare-earth ions.

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Публикация на русском языке Зиненко, Виктор Иванович. Термодинамика спинового льда на решетке антиперовскита в приближении кластеров [Текст] / В. И. Зиненко. - 5 с. // Физ. твердого тела. - 2023. - Т. 65 Вып. 7. - С. 1256-1260

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Зиненко, Виктор Иванович
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Zinenko, V. I.
Thermodynamics of spin ice in staggered and direct (along the [111] axis) fields in the cluster approximation / V. I. Zinenko, M. S. Pavlovskii // J. Exp. Theor. Phys. - 2017. - Vol. 124, Is. 2. - P. 295-303, DOI 10.1134/S1063776117020182. - Cited References:15. - This work was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territory Foundation for Supporting the Scientific and Research Activity (project no. 16-42-243039). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
ENTROPY
HEAT
Аннотация: We have analyzed the low-temperature thermodynamic properties of spin ice in the staggered and direct (acting along the [111] axis) fields for rare-earth oxides with the chalcolamprite structure and general formula Re23+Me24+O72- . Calculations have been performed in the cluster approximation. The results have been compared with experimental temperature dependences of heat capacity and entropy for Dy2Ti2O7 compound for different values of the external field in the [111] direction. The experimental data and calculated results have also been compared for the Pr2Ru2O7 compound with the antiferromagnetic ordering of magnetic moments of ruthenium ions, which gives rise to the staggered field acting on the system of rare-earth ions. The calculated temperature dependences of heat capacity and entropy are in good agreement with experimental data.

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Публикация на русском языке Зиненко, Виктор Иванович. Термодинамика спинового льда в «шатающемся» и прямом в направлении [111] полях в приближении кластеров [Текст] / В. И. Зиненко, М. С. Павловский // Журн. эксперим. и теор. физ. : Наука, 2017. - Т. 151 Вып. 2. - С. 346–355

Доп.точки доступа:
Pavlovskii, M. S.; Павловский, Максим Сергеевич; Зиненко, Виктор Иванович; Russian Foundation for Basic Research; Government of the Krasnoyarsk Territory; Krasnoyarsk Territory Foundation for Supporting the Scientific and Research Activity [16-42-243039]
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Sidorov, K. A.
Exact solution for the thermodynamics of the one-dimensional Hubbard model with infinite repulsion in a magnetic field / K. A. Sidorov, N. V. Tikhonov, S. G. Ovchinnikov // VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016) : abstracts / ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk : KIP RAS SB, 2016. - Ст. P1.43. - P. 104. - References: 4 . - ISBN 978-5-904603-06-9
Кл.слова (ненормированные):
Hubbard model -- magnetic field -- infinite repulsion -- thermodynamics -- exact solution

Доп.точки доступа:
Tikhonov, N. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН

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Val'kov, V. V.
Effect of intersite repulsion on the correlation functions and thermodynamics of an Ising chain with annealed magnetic disorder / V. V. Val’kov, M. S. Shustin // Bull. Russ. Acad. Sci. Phys. - 2016. - Vol. 80, Is. 11. - P. 1335-1337, DOI 10.3103/S1062873816110290. - Cited References: 6. - This work was supported by the Russian Foundation for Basic Research, project nos. 13-02-00073, 14-02-31237, and 15-42-04372. . - ISSN 1062-8738
Кл.слова (ненормированные):
Chains -- Magnetic susceptibility -- Temperature distribution -- Thermodynamics -- Transfer matrix method -- Correlation function -- Equilibrium behavior -- Equilibrium distributions -- Non-magnetic impurities -- Quantum phase transitions -- Repulsion parameter -- Temperature dependence -- Transfer matrix technique -- Phase transitions
Аннотация: An exact solution for a model describing the equilibrium behavior of an ensemble of Ising chains with nonmagnetic intersite repulsion of nearest neighbors and an equilibrium distribution of nonmagnetic impurities is obtained using the transfer matrix technique. The possibility of exciting quantum phase transitions using the intersite repulsion parameter in a system is demonstrated. Proximity to the critical points of these transitions has a substantial effect on the temperature dependence of a system’s magnetic susceptibility. © 2016, Allerton Press, Inc.

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Публикация на русском языке Вальков, Валерий Владимирович. Влияние эффектов межузельного отталкивания на корреляционные функции и термодинамику изинговской цепочки с отожженным магнитным беспорядком [Текст] / В. В. Вальков, М. С. Шустин // Изв. РАН. Сер. физич. - 2016. - Т. 80 № 11. - С. 1504-1506

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shustin, M. S.; Шустин, Максим Сергеевич; Вальков, Валерий Владимирович
}
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Mironov, V. L.
Dielectric model of a mineral arctic soil thawed and frozen at 0.05-15 GHz / V. L. Mironov, I. P. Molostov, V. V. Scherbinin // Int. Sib. Conf. on Control and Communicat. (SIBCON 2015) : Proceedings : IEEE-Institute Electrical and Electronics Engineers, 2015. - P. 1-7, DOI 10.1109/SIBCON.2015.7147146
Кл.слова (ненормированные):
Arctic regions -- dielectric model -- dielectric relaxation -- remote sensing -- soil -- temperature dependence -- Dielectric relaxation -- Moisture -- Remote sensing -- Soil moisture -- Soils -- Temperature -- Temperature distribution -- Thawing -- Thermodynamics -- Active and passive remote sensing -- Arctic regions -- Complex dielectric constant -- Dielectric modeling -- Soil dielectric constant -- Spectroscopic parameters -- Temperature dependence -- Thermodynamics parameters -- Soil surveys
Аннотация: The dielectric model for an arctic soil both thawed and frozen has been developed. The model is based on the soil dielectric measurements carried out in the ranges of gravimetric moisture from 0.01 to 0.43 g/g, dry soil density from 1.25 to 1.83 g/cm3, and temperature from 25 to -30°C (cooling run), in the frequency range 0.05-15 GHz. To fit the results of measurements of the soil complex dielectric constant as a function of soil moisture and wave frequency, the refractive mixing dielectric model in conjunction with the Debye multi-relaxation equations were applied. As a result, the spectroscopic parameters of dielectric relaxations for the bound, transient bound, and unbound soil water components were derived, being further complimented with the thermodynamics parameters to ensure a complete set of parameters of the temperature dependent multi-relaxation spectroscopic dielectric model for moist soils proposed. To calculate complex dielectric constant of soil, the following input variables have to be assigned: 1) density of dry soil, 2) gravimetric moisture, 3) wave frequency, and 4) temperature. The error of the dielectric model was evaluated in terms of RMSE, yielding the values RMSE of 0.53 and 0.43 for the soil dielectric constant and loss factor, respectively. These values appeared to be in the order of the dielectric measurement error itself. The dielectric model suggested can be applied in the active and passive remote sensing techniques in microwave to develop algorithms for retrieving soil moisture and freeze/thaw state of the topsoil in the Arctic regions. © 2015 IEEE.

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Доп.точки доступа:
Molostov, I. P.; Scherbinin, V. V.; Щербинин, Всеволод Владиславович; Миронов, Валерий Леонидович; International Siberian Conference on Control and Communications(11 ; 2015 ; May 21-23 ; Omsk)
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Sidorov, K. A.
Exact solution for the thermodynamics of the one-dimensional Hubbard model with infinite repulsion in a magnetic field / K. A. Sidorov, N. V. Tikhonov, S. G. Ovchinnikov // Theor. Math. Phys. - 2014. - Vol. 180, Is. 1. - P. 835-849, DOI 10.1007/s11232-014-0183-9. - Cited References: 8. - This work was supported in part by the Russian Federation Ministry of Education and Science (State Order SFU 2014 GF-2), the Presidium of the Russian Academy of Sciences (Program No. 20.7), the Program for Supporting Leading Scientific Schools (Grant No. NSh-1044.2012.2), the Russian Foundation for Basic Research (Grant No. 10-02-00251), and the Siberian Federal University (Internal Grant No. NF-11). . - ISSN 0040-5779. - ISSN 1573-9333

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
FINITE TEMPERATURES
Кл.слова (ненормированные):
Hubbard model -- magnetic field -- infinite repulsion -- thermodynamics -- exact solution
Аннотация: We demonstrate that in the limit of infinite repulsion in a magnetic field, the canonical partition function of the one-dimensional Hubbard model in the nearest-neighbor approximation factors into the product of partition functions of holons and spinons, which can be calculated exactly. We thus obtain exact numerical dependences of the free energy, entropy, internal energy, specific heat, chemical potential, and magnetic susceptibility on the hole concentration, temperature, and magnetic field induction.

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Публикация на русском языке Сидоров, Кирилл Александрович. Точный расчет термодинамики одномерной модели Хаббарда с бесконечным отталкиванием в магнитном поле [Текст] / К. А. Сидоров, Н. В. Тихонов, С. Г. Овчинников // Теор. и мат. физика : Наука, 2014. - Т. 180 № 1. - С. 94-111

Держатели документа:
RAS, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk, Russia
Siberian Fed Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Tikhonov, N. V.; Тихонов Н.В.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Сидоров, Кирилл Александрович; Russian Federation Ministry of Education and Science [SFU 2014 GF-2]; Presidium of the Russian Academy of Sciences [20.7]; Program for Supporting Leading Scientific Schools [NSh-1044.2012.2]; Russian Foundation [10-02-00251]; Siberian Federal University [NF-11]
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Ovchinnikov, S. G.
Anomalous thermodynamics of the doped Mott-Hubbard insulators / S. G. Ovchinnikov, K. A. Sidorov, E. I. Shneyder // Phys. Solid State. - 2011. - Vol. 53, Is. 2. - P. 299-302, DOI 10.1134/S1063783411020247. - Cited References: 6. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00127), the Branch of the Physical Sciences of the Russian Academy of Sciences (program nos. 2 and 3), grant no. MK-1683.2010.2, and by the Federal Target Program "Personnel" (project NK-589 P). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
SPECTRUM
Аннотация: The concentration dependence of the entropy of doped Mott-Hubbard insulators has been considered within the t-J model. It has been shown that a change in the type and statistics of charge carriers as compared to the Fermi gas leads to a radical change in the entropy s, in particular, to the giant growth of the entropy upon doping. The quantity a,s/a,x a parts per thousand k (B) is approximately consistent with the experimental data for HTSC cuprates in the pseudogap phase.

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Аномальная термодинамика допированных диэлектриков Мотта-Хаббарда [Текст] / С. Г. Овчинников, К. А. Сидоров, Е. И. Шнейдер // Физ. тверд. тела. - 2011. - Т. 53 Вып. 2. - С. 280-283

Держатели документа:
[Ovchinnikov, S. G.
Sidorov, K. A.
Shneyder, E. I.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.
Shneyder, E. I.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Reshetnev Siberian State Aerospace University, pr. im. Gazety Krasnoyarskii Rabochii 31, Krasnoyarsk 660014, Russian Federation
Siberian Federal University, pr. Svobodnyi 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Sidorov, K. A.; Shneyder, E. I.; Шнейдер, Елена Игоревна; Овчинников, Сергей Геннадьевич
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The novel method for determination of association constants of strong electrolytes ions using capillary electrophoresis technique [Text] / V. V. Sursyakova, S. N. Kalyakin [et al.] // XVII International Conference on Chemical Thermodynamics in Russia (RCCT-2009) : abstracts. - 2009. - Vol. 1. - P. 314

Доп.точки доступа:
Sursyakova, V.V.; Kalyakin, S.N.; Burmakina, G.V.; Rubaylo, A.I.; International Conference on Chemical Thermodynamics in Russia(17 ; 2009 ; 29 June-3 July ; Kazan)
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10.

Fedorov, A. S.
Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P. 1546-1551, DOI 10.1002/pssb.200844155. - Cited References: 31 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   MOLECULAR-DYNAMICS
   ROOM-TEMPERATURE
   STORAGE
   ENERGY
   THERMODYNAMICS
   GRAPHITE
   DENSITY
   POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
[Fedorov, Alexander S.
Sorokin, Pavel B.
Kuzubov, Alexander A.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Fedorov, Alexander S.] Moscow Railroad Transport Engn Inst, Krasnoyarsk 660028, Russia
[Sorokin, Pavel B.
Kuzubov, Alexander A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Railroad Transport Institute, 660028 Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodniy av, 660041 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
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