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Experimental and DFT study of BaLaCuS3: Direct band gap semiconductor / A. S. Oreshonkov, N. O. Azarapin, N. P. Shestakov, S. V. Adichtchev // J. Phys. Chem. Solids. - 2021. - Vol. 148. - Ст. 109670, DOI 10.1016/j.jpcs.2020.109670. - Cited References: 26. - The reported study was funded by RFBR , project numbers: 18-03-00750 , 18-05-00682 and 18-32-20011 . The authors would like to thank Alexey A. Lubin for his studies on SEM. The studies were carried out on the basis of a laboratory of electron and probe microscopy in REC ‘Nanotechnologies’. We are grateful to the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS » for the provided Bruker Vertex 80v. The experimental part corresponding to Raman measurements was supported by the Ministry of Education and Science of the Russian Federation, grant no AAAA-A17-117052410033-9 . - ISSN 0022-3697
Кл.слова (ненормированные):
Sulphidation -- Semiconductor -- Direct band gap -- Wide band gap -- Solar cell
Аннотация: BaLaCuS3 powder was prepared by sulphidation method. The shape of powder particles is irregular and place in the range of 10–100 μm. The electronic, elastic and vibrational properties were evaluated with the use of DFT method. According to the electronic band structure calculation the BaLaCuS3 is a direct wide band gap semiconductor with Edg = 2.0 eV while the energy of indirect transition is equal to 2.2. eV and it indicates that the BaLaCuS3 is a promising material for efficient underwater solar cells. Calculated compressibility of BaLaCuS3 is found to be identical to germanium and zinc blende modification of zunc sulfide.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Azarapin, N. O.; Shestakov, N. P.; Шестаков, Николай Петрович; Adichtchev, S. V.
}
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Mixed-valence hydrated iron fluoridotitanate: synthesis, optics and calorimetry / S. V. Mel'nikova, N. M. Laptash, M. V. Gorev, E. I. Pogoreltsev // J. Phys. Chem. Solids. - 2020. - Vol. 142. - Ст. 109444, DOI 10.1016/j.jpcs.2020.109444. - Cited References: 35 . - ISSN 0022-3697
Кл.слова (ненормированные):
Crystal growth -- Fluoridotitanate -- Mixed valence -- Phase transition -- Optical properties -- Heat capacity
Аннотация: Mixed-valence hydrated fluoridotitanate with idealized formula FeTiF6·6H2O is the main product of fluoride processing of natural mineral ilmenite with hydrofluoric acid. Its single crystals were grown and optical and calorimetric experiments were carried out in the temperature range 200–350 K. Charge re-distribution, Fe2+Ti4+ to Fe3+Ti3+, in the compound studied was evident in XPS spectra. A first order ferroelastic phase transition occurs at temperatures T0↓ = 271.5 K, T0↑ = 274 ÷ 275.5 K with the symmetry change P3‾↔ P1‾. The structural transformation is accompanied by the appearance of a very weak optical anisotropy in the slice (001), a small anomaly of the heat capacity (ΔS = 1.5 J/mol K = 0.2R), and positive baric coefficients dT0/dp ≈ 30 ± 10 K/GPa.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok, 690022, Russian Federation
Siberian Federal University, Krasnoyarsk, 660074, Russian Federation

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Laptash, N. M.; Gorev, M. V.; Горев, Михаил Васильевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич
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Application of DMA 242 C for quasi-static measurements of piezoelectric properties of solids / P. P. Turchin, V. I. Turchin, S. V. Yurkevich [et al.] // J. Sib. Fed. Univ. Math. Phys. - 2020. - Vol. 13, Is. 1. - P. 97-103 ; Журн. СФУ. Матем. и физика, DOI 10.17516/1997-1397-2020-13-1-97-103. - Cited References: 26. - The reported study was funded by Russian Foundation for Basic Research project no. 18-42-240016, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science, to the research project: "Electromechanical Properties and Anisotropy of Acoustic Wave Propagation in Yttrium Aluminoborates Single Crystals" . - ISSN 1997-1397
Кл.слова (ненормированные):
Piezoelectric modules -- Quasistatic method -- Multiferroics
Аннотация: An experimental device for quasi-static measurements of piezoelectric moduli dijk, based on the possibilities of precision variations in mechanical stresses with the device DMA 242 C in the frequency range 0-100 Hz has been developed. A special sample holder and a charge amplifier are used in the measuring scheme. The measurements of piezoelectric moduli values of trigonal piezoelectric single crystalls La3Ga5SiO14 (P321) and YAl3(BO3)4 (R32), as well as hexagonal ZnO (P63mc) have been carried out.

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Держатели документа:
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Turchin, P. P.; Турчин, Павел Петрович; Turchin, V. I.; Yurkevich, S. V.; Sukhodaev, P. O.; Raikova, I. S.

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    Magnetic properties of ludwigite Mn2.25Co0.75BO5 / D. V. Popov, T. P. Gavrilova, I. F. Gilmutdinov [et al.] // J. Phys. Chem. Solids. - 2021. - Vol. 148. - Ст. 109695, DOI 10.1016/j.jpcs.2020.109695. - Cited References: 36. - This research was supported by the RFBR (project no. 17-02-00953 ). T. P. G., R. M. E., V. A. Sh. acknowledge the financial support from the government assignment for FRC Kazan Scientific Center of RAS . The magnetic measurements were carried out at the Federal Center of Shared Facilities of Kazan Federal University . - ISSN 0022-3697
   Перевод заглавия: Магнитные свойства людвигита Mn2.25Co0.75BO5
Кл.слова (ненормированные):
Ludwigite -- Phase transition -- Magnetization -- Specific heat
Аннотация: Needle-shape single crystals of Mn2.25Co0.75BO5 ludwigite were synthesized by the flux technique and investigated by means of X-ray diffraction, static magnetic susceptibility and specific heat measurements. Magnetization and specific heat experiments showed the presence of ferrimagnetic ordering near TN≃61K. Below this temperature the magnetic properties demonstrated the angular dependence and the high magnetic hardness in a magnetic field applied perpendicular to the crystallographic c axis, which is similar to other cobalt-containing ludwigites. The effective magnetic moment per magnetic ion 4.8μB was calculated from the paramagnetic data. Analysis of the phonon contribution to the specific heat allowed to distinguish the magnetic contribution CM, which has two features. One of which was observed at TN and can be attributed to strong exchange interactions between spins of magnetic ions. The second one at T = 11.6 K is due to the effect of the ligands crystal field on a magnetic ion with S›1/2.

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Держатели документа:
Kazan (Volga Region) Federal University, Kremlevskaya st., 18, Kazan, 420008, Russian Federation
Zavoisky Physical-Technical Institute, Federal Research Center “Kazan Scientific Center of RAS”, Sibirsky tract, 10/7, Kazan, 420029, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Popov, D. V.; Gavrilova, T. P.; Gilmutdinov, I. F.; Cherosov, M. A.; Shustov, V. A.; Moshkina, E. M.; Мошкина, Евгения Михайловна; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Eremina, R. M.
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Local electric-field effects and 2nd-harmonic generation in langmuir-blodgett-films / A. N. Botvich, M. P. Shkuryaev, A. N. Vtyurin // Molecular crystals and liquid crystals science and technology : section A- Molecular crystals and liquid crystals. - 1993. - Vol. 230. - P. 259-264. - Cited References: 8 . - ISSN 0140-6566
Аннотация: Local electric field of light waves in Langmuir-Blodgett film is calculated, and its effect on optical second harmonic generation (SHG) is estimated. Strong dependence of SHG intensity on the film thickness is explained.

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Держатели документа:
KRASNOYARSK UNIV,KRASNOYARSK 660036,RUSSIA
LV KIRENSKII INST PHYS,KRASNOYARSK 660036,RUSSIA
ИФ СО РАН

Доп.точки доступа:
Botvich, A. N.; Ботвич, Александр Николаевич; Shkuryaev, M. P.; Шкуряев, М. П.; Vtyurin, A. N.; Втюрин, Александр Николаевич; International conference on electrical and related properties of organic solids(6 ; 1992 ; May 18-22 ; Capri, Italy)
}
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    Zobov, V. E.
    Effect of degradation processes caused by a small perturbation on the growth of the average cluster size of correlated spins in multiple quantum NMR spectroscopy of solids / V. E. Zobov, A. A. Lundin // Appl. Magn. Reson. - 2021. - Vol. 52. Is. 7. - P. 879–892, DOI 10.1007/s00723-021-01342-1. - Cited References: 33. - The study is funded by the Ministry of Science and Higher Education of the Russian Federation in the framework of the State assignment, State registration number AAAA-A19-119012890064-7 . - ISSN 0937-9347
   Перевод заглавия: Влияние процессов деградации, вызванных малым возмущением, на рост среднего размера кластера коррелированных спинов в многоквантовой ЯМР спектроскопии твердых тел
Кл.слова (ненормированные):
Nuclear magnetic resonance spectroscopy -- Average size -- Cluster sizes -- Degradation process -- Multiple quantum NMR spectroscopy -- Orthogonal operators -- Over-complete -- Small perturbations -- Velocity ratio -- Cluster analysis
Аннотация: Multiple quantum (MQ) NMR spectroscopy of solids allows one to observe the growth and decay of multispin correlations. As a rule, the average size of the cluster of correlated spins is extracted from the width of the MQ spectrum. In the present article, the size distribution of such clusters is explored. To obtain the above distribution, the solutions for the amplitudes of the decomposition over complete sets of orthogonal operators for the two different models were used. By means of these models, we have taken into account the dependence of cluster degradation (the degradation of a cluster means, e.g., destruction of correlations in cluster or loss of particles in it) through two positions. The first one defines by the cluster size while the second one depends on the MQ coherence order of the cluster. It is shown that in dependence of the relation the rates of these degradation processes, the width of the MQ spectrum carries different information. If the first process is faster that the second one, then the width of the MQ spectrum is still determined by the average cluster size. When the velocity ratio becomes inverse, the width of the MQ spectrum takes on a smaller value, which is a consequence of the faster degradation of the MQ spectrum components with large orders of coherence.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, 117977, Russian Federation

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич
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    Zobov, V. E.
    Reversible and Irreversible propagation of quantum information and its manifestation in multiple-quantum NMR spectra in solids / V. E. Zobov, A. A. Lundin // J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 2. - P. 273-279, DOI 10.1134/S1063776120060096. - Cited References: 33. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the State Task 0082-2019-0001 (State Registration Number AAAA-A19-119012890064-7) . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
DYNAMICS
   LOCALIZATION
   SIMULATIONS
   COHERENCES
Аннотация: On the basis of the earlier developed statistical theory of the growth of the effective size of correlated clusters (the number of correlated spins), an expression for the shape of the multiple-quantum (MQ) NMR spectrum is obtained that takes into account the loss of coherence in a spin system due, for example, to the controlled intervention of the experimenter. It is shown that the scrambling and decoherence processes in the MQ spectrum of the multiparticle system of a solid are not separated, unlike the corresponding spectra of some large isolated molecules [27] in a solution. The relations obtained allow one to extract the necessary information about the above processes (scrambling and decoherence) from the dependence of the MQ spectra on experimental parameters.

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Публикация на русском языке Зобов, Владимир Евгеньевич. Обратимое и необратимое распространение квантовой информации и проявление его в спектрах многоквантового ЯМР в твердом теле [Текст] / В. Е. Зобов, А. А. Лундин // Журн. эксперим. и теор. физ. - 2020. - Т. 158 Вып. 2. - С. 300-308

Держатели документа:
RAS, Fed Res Ctr, Kirensky Inst Phys, KSC,SB, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Semenov Inst Chem Phys, Moscow 117977, Russia.

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич; Ministry of Science and Higher Education of the Russian Federation [0082-2019-0001, AAAA-A19-119012890064-7]
}
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Lundin, A. A.
Multiple-quantum NMR spectroscopy and quantum information delocalization in solids in the presence of magnetic fields inhomogeneities / A. A. Lundin, V. E. Zobov // International Conference “Magnetic Resonance – Current State and Future Perspectives” (EPR-75) : book of abstracts. - Kazan, 2019. - P. 30. - Cited References: 5

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Держатели документа:
N.N. Semenov Institute of Chemical Physics, RAS
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Zobov, V. E.; Зобов, Владимир Евгеньевич; Лундин, Андрей Арнольдович; "Magnetic Resonance - Current State and Future Perspectives", International Conference(2019 ; Sept. ; 23-27 ; Kazan, Russia); Казанский (Приволжский) федеральный университет; Казанский физико-технический институт им. Е. К. Завойского Казанского научного центра РАН
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Effect of gadolinium on magnetic circular dichroism and electron magnetic resonance of ε-Fe2O3 nanoparticles formed in borate glasses / I. Edelman [et al.] // J. Non-Cryst. Solids. - 2019. - Vol. 506. - P. 68-79, DOI 10.1016/j.jnoncrysol.2018.12.006. - Cited References: 81. - The work is supported by Russian Academy of Sciences in the frame of the Project № 0356-2017-0030. . - ISSN 0022-3093
Кл.слова (ненормированные):
Iron oxides -- ε-Fe2O3 -- Borate glasses -- Nanoparticles -- Magnetic circular dichroism -- Electron magnetic resonance
Аннотация: A remarkable characteristic of borate glasses is the ability of forming magnetic nanoparticles at low doping with transition element oxides. We have studied structure and magnetic properties of iron oxide nanoparticles formed in borate glasses, in particular, concentration and temperature dependences of magnetic circular dichroism (MCD) and electron magnetic resonance (EMR) spectra. A series of glasses of molar composition 22.5K2O-22.5Al2O3–55B2O3 doped with 1.5 mass % of Fe2O3 and different contents of Gd2O3 from 0.1 to 1.0 mass % was prepared using a conventional melt quenching technique and subjected to an additional thermal treatment. The whole set of results allows to identify the predominant magnetic phase in these glasses as ε-Fe2O3 nanoparticles, with a considerable part of iron ions substituted by gadolinium. Analysis and computer simulations of the EMR spectra allow separating the contribution of electron paramagnetic resonance of diluted iron ions and together with the temperature dependences of magnetization demonstrate a superparamagnetic character of the nanoparticle magnetism.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
LOMA, UMR 5798 Universite de Bordeaux-CNRS, Talence cedex, 33405, France
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Boreskov Institute of Catalysis, Siberian Branch of RAS, Novosibirsk, 630090, Russian Federation
NRC “Kurchatov Institute”, Moscow, 123182, Russian Federation
Vavilov State Optical Institute, St.-Petersburg, 199053, Russian Federation

Доп.точки доступа:
Edelman, I. S.; Эдельман, Ирина Самсоновна; Kliava, J.; Ivanova, O. S.; Иванова, Оксана Станиславовна; Ivantsov, R. D.; Иванцов, Руслан Дмитриевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Zaikovskii, V.; Petrakovskaja, E. A.; Петраковская, Элеонора Анатольевна; Zubavichus, Y.; Stepanov, S.
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10.

Stability of the superconducting d-wave pairing towards the Coulomb repulsions in cuprate superconductors / V. V. Val'kov [и др.] // VI International symposium on strong nonlinear vibronic and electronic interactions in solids : book of abstracts . - 2018. - P. 33

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Доп.точки доступа:
Val'kov, V. V.; Вальков, Валерий Владимирович; Dzebisashvili, D. M.; Дзебисашвили, Дмитрий Михайлович; Korovushkin, M. M.; Коровушкин, Максим Михайлович; Barabanov, A. F.; International symposium on strong nonlinear vibronic and electronic interactions in solids(6 ; 2018 ; April 28-May 1 ; Tartu, Estonia)
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