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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Belskaya N. A., Moshkina E. M., Bezmaternykh L. N., Vasiliev A. D., Sofronova S. N., Eremina R. M., Eremin E. V., Muftakhutdinov A. R., Cherosov M. A., Ovchinnikov S. G.
Заглавие : Antiferromagnetism of the cation-ordered warwickite system Mn2-xMgxBO4 (x=0.5, 0.6 and 0.7)
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [20-02-00559]; Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science to the research project [18-42243007]
Место публикации : J. Magn. Magn. Mater. - 2020. - Vol. 507. - Ст.166820. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2020.166820. - ISSN 1873-4766(eISSN)
Примечания : Cited References: 39. - The reported study was funded by the Russian Foundation for Basic Research (no. 20-02-00559), Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project. 18-42243007.
Предметные рубрики: SPIN-GLASS BEHAVIOR
CRYSTAL-STRUCTURES
SINGLE-CRYSTALS
INSIGHTS
MGFEBO4
Аннотация: X-ray diffraction, heat capacity and magnetic measurements are performed on single crystals of Mn2-xMgxBO4 (x = 0.5, 0.6 and 0.7) with the warwickite structure. The monoclinic symmetry is found for all samples with the space group P21/n. The M1 site is occupied by trivalent Mn ions while the M2 site is occupied by a mixture of divalent Mg and Mn ions. Regular cation and charge distributions are observed, which is unusual for heterometallic warwickites. The local octahedral distortions of M1O6 show the monotonic dependence on the Mg content and are in accordance with the Jahn-Teller distortion. All samples are found to undergo long-range antiferromagnetic ordering with rather low transition temperatures of TN = 16, 14 and 13 K for x = 0.5, 0.6, and 0.7, respectively. The ordering of local octahedral distortions, caused by the strong electron-phonon interaction of the trivalent Mn ions, is proposed to stabilise the cationic ordering and, as a result, the long-range magnetic ordering in the material.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva E. A., Flerov I. N., Gorev M. V., Molokeev M. S., Cherepakhin A. V., Kartashev A. V., Mikhashenok N. V., Sablina K. A.
Заглавие : Caloric characteristics of PbTiO3 in the temperature range of the ferroelectric phase transition
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 9. - P.1832-1840. - ISSN 1063-7834, DOI 10.1134/S1063783412090181
Примечания : Cited References: 31. - This study was supported by the Russian Foundation for Basic Research (project no. 12-08-00079) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (grant no. NSh-4828.2012.2).
Предметные рубрики: SINGLE-CRYSTALS
LEAD TITANATE
DIELECTRIC PROPERTIES
SOLID-SOLUTIONS
PRESSURE
PEROVSKITES
DEPENDENCE
BEHAVIOR
HEAT
Аннотация: The heat capacity and thermal expansion of the PbTiO3 ceramic sample have been measured in the temperature range 80–970 K. The electrocaloric and barocaloric efficiencies of lead titanate in the ferroelectric phase transition range have been investigated by analyzing the experimental data in terms of the thermodynamic theory of phase transitions, the electrical equation of state P(T, E), the Pippard equation, and the S(T, p) diagram.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Platunov M. S., Knyazev Yu. V., Ivanova N. B., Zubavichus Y. V., Veligzhanin A. A., Vasiliev A. D., Bezmaternykh L. N., Bayukov O. A., Arauzo A., Bartolome J., Lamonova K. V., Ovchinnikov S. G.
Заглавие : Crystal and local atomic structure of MgFeBO4,Mg0.5Co0.5FeBO4, and CoFeBO4: effects of Co substitution
Место публикации : Phys. Status Solidi B. - 2015. - Vol. 252, Is. 10. - P.2245-2258. - ISSN 0370, DOI 10.1002/pssb.201552143. - ISSN 15213951 (eISSN)
Примечания : Cited References: 46. - This work has been financed by the MECOM Project MAT11/23791, and DGA IMANA project E-34, Council for Grants of the President of the Russian Federation (project nos. NSh-2886.2014.2, SP-938.2015.5), and Russian Foundation for Basic Research (project nos. 13-02-00958-a, 13-02-00358-a, 14-02-31051-mol-a). The work of one of the coauthors (M.S.P.) was supported by the program of Foundation for promoting the development of small enterprises in scientific and technical sphere ("UMNIK" program).
Предметные рубрики: SPIN-GLASS BEHAVIOR
MAGNETIC WARWICKITES
SINGLE-CRYSTALS
PHASE-RELATIONS
OXYBORATE
SYSTEM
SPECTROSCOPY
ANISOTROPY
MN2OBO3
FE2OBO3
Ключевые слова (''Своб.индексиров.''): crystal structure--xanes--exafs--magnetic semiconductor--oxyborate
Аннотация: Single-crystalline MgFeBO4, Mg0.5Co0.5FeBO4, and CoFeBO4 have been grown by the flux method. The samples have been characterized by X-ray spectral analysis, X-ray diffraction, and X-ray absorption spectroscopy. The X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectra have been measured at the Fe and Co K-edges over a wide temperature range (6.5– 300 K). The composition, the charge state, and local environ- ment of both Fe and Co atoms have been determined. The effects of Co substitution for Mg on the local structural distortions have been revealed experimentally and the M–O bond anisotropy has been found.Монокристаллические образцы CoFeBO4 были выращены раствор-расплавным методом. Образцы были охарактеризованы с помощью рентгеноспектрального анализа, рентгеновской дифракции и спектроскопии поглощения рентгеновских лучей. Спектры вблизи K-края поглощения рентгеновского излучения структуры (XANES) и далее рентгеновского поглощения тонкой структуры (EXAFS) были измерены для Fe и Co в широком диапазоне температур (6.5- 300К). Состав, состояние заряда, и локальная положение и Fe и Co атомов были определены. Эффекты замещения Co магнием Mg на местные структурные искажения были выявлены экспериментально и анизотропия связи М-О была найдена.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shi P. L., Xia, Zhiguo, Molokeev M. S., Atuchin V. V.
Заглавие : Crystal chemistry and luminescence properties of red-emitting CsGd1−xEux(MoO4)2 solid-solution phosphors
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2014. - Vol. 43, Is. 25. - P.9669-9676. - ISSN 1477-9226, DOI 10.1039/C4DT00339J. - ISSN 1477-9234
Примечания : Cited References: 46. - The present work was supported by the National Natural Science Foundations of China (grant no. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635), the Fundamental Research Funds for the Central Universities (2-9-2014-044), and the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306). V. V. A. gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support.
Предметные рубрики: WHITE-LIGHT
VIBRATIONAL PROPERTIES
HYDROTHERMAL SYNTHESIS
SINGLE-CRYSTALS
DIODES
EFFICIENCY
PHOTOLUMINESCENCE
CSGD(MOO4)2
MORPHOLOGY
GROWTH
Аннотация: Scheelite related alkali-metal rare-earth double molybdate compounds with a general formula of ALn(MoO4)2 can find wide application as red phosphors. The crystal chemistry and luminescence properties of red-emitting CsGd1−xEux(MoO4)2 solid-solution phosphors have been evaluated in the present paper. A detailed analysis of the structural properties indicates the formation of isostructural scheelite-type CsGd1−xEux(MoO4)2 solid-solutions over the composition range of 0 ≤ x ≤ 1. The photoluminescence emission (PL) and excitation (PLE) spectra, and the decay curves were measured for this series of compounds. The critical doping concentration of Eu3+ is determined to be x = 0.6 in order to realize the maximum emission intensity. The emission spectra of the as-obtained CsGd(1−x)Eux(MoO4)2 phosphors show narrow high intensity red lines at 592 and 615 nm upon excitation at 394 or 465 nm, revealing great potential for applications in white light-emitting diode devices.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sofronova S. N., Moshkina E. M., Nazarenko I. I., Seryotkin Yu. V., Nepijko S. A., Ksenofontov V., Medjanik K., Veligzhanin A. A., Bezmaternykh L. N.
Заглавие : Crystal growth, structure, magnetic properties and theoretical exchange interaction calculations of Cu2MnBO5
Место публикации : J. Magn. Magn. Mater.: Elsevier, 2016. - Vol. 420. - P.309-316. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2016.07.019
Примечания : Cited References: 35. - X-ray diffraction experiment was carried out at the Centre on Molecular Design and Ecologically Safe Technologies at the Novosibirsk State University. The reported study was funded by Russian Foundation for Basic Research (RFBR) and Government of Krasnoyarsk Territory according to the research project No. 16-42-243028.
Предметные рубрики: SPIN-GLASS BEHAVIOR
SINGLE-CRYSTALS
SUPEREXCHANGE INTERACTIONS
LUDWIGITE
DIELECTRICS
CO3B2O6NI3B2O6
WARWICKITES
FE3O2BO3
IFEFFIT
NI3B2O6
Ключевые слова (''Своб.индексиров.''): oxyborates--ludwigites--xmcd--exafs--magnetism
Аннотация: Single crystals of ludwigite Cu2MnBO5 were synthesized by flux growth technique. The detailed structural and magnetic characterizations of the synthesized samples have been carried out. The cations composition of the studied crystal was determined using X-ray diffraction and EXAFS technique, the resulting composition differ from the content of the initial Mn2O3–CuO components of the flux. Magnetic susceptibility measurements and the calculations of the exchange integrals in frameworks of indirect coupling model revealed that monoclinic distortions strongly affect exchange interactions and appearance of magnetic ordering phase at the temperature T=93 K. The hypothesis of the existence of several magnetic subsystems was supposed. © 2016 Elsevier B.V.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Makarov I. A., Ovchinnikov S. G., Shneider E. I.
Заглавие : Dependence of the critical temperature of high-temperature cuprate superconductors on hoppings and spin correlations between CuO2 planes
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 2. - P.329-342. - ISSN 1063-7761, DOI 10.1134/S1063776112020264
Примечания : Cited References: 73. - This study was supported in part by the Presidium of the Russian Academy of Sciences (program "Quantum Physics of Condensed Media," project no. 18.7), jointly by the Siberian and Ural branches of the Russian Academy of Sciences (integration projects project no. 40), the Russian Foundation for Basic Research (project no. 09-02-00127), the Presidential Program in Support of Young Scientists in Russia (project no. MK-1683.2010.2), and the federal target program "Specialists" (project no. P891). One of the authors (E.I.Sh.) gratefully acknowledges support from the nonprofit Dynasty foundation.
Предметные рубрики: T-J MODEL
BAND HUBBARD-MODEL
SINGLE-CRYSTALS
TRANSITION-TEMPERATURE
FERMI-SURFACE
DOPING DEPENDENCE
THERMAL-EXPANSION
COPPER OXIDES
ANISOTROPY
LA2-XSRXCUO4
Аннотация: The influence of interlayer hoppings on the superconducting transition temperature (T c) in bilayer cuprates has been studied. The parameter of hopping between layers is expressed as t ⊥(k) = t ⊥(cos(k x ) − cos(k y ))2 and treated as a small perturbation for the states of two CuO2 planes described by the t-t′-t″-J* model. In the generalized mean field approximation for dx2−y2{d_{{x. } - {y. }}} symmetry of the superconducting gap, neither the interlayer hopping or exchange interaction, nor the pair hopping between CuO2 layers provides an additional mechanism of Cooper pair formation or an increase in T c. In the concentration dependence of T c, the bilayer splitting of the upper Hubbard band of quasi-holes is manifested as two peaks with temperatures slightly lower than the maximum T c for a single-layer cuprate. Interlayer antiferromagnetic spin correlations suppress bilayer splitting.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu. V., Kazak N. V., Zhandun V. S., Bartolome J., Arauzo A., Belskaya N. A., Bayukov O. A., Bezmaternykh L. N., Ovchinnikov S. G.
Заглавие : Electronic and magnetic states of Fe ions in Co2FeBO5
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [20-02-00559, 21-52-12033]; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [19-42-240016]; President Council on Grants [MK-2339.2020.2]; Spanish Ministry of Economy, Industry and Competitiveness (MINECO) [MAT2017-83468-R]; regional Government of Aragon (RASMIA project) [E12-20R]
Место публикации : Dalton Trans. - 2021. - Vol. 50, Is. 28. - P.9735-9745. - ISSN 1477-9226, DOI 10.1039/d1dt00125f. - ISSN 1477-9234(eISSN)
Примечания : Cited References: 41. - The authors acknowledge Prof. I. S. Lyubutin for helpful discussions and a critical reading of the manuscript. This research is funded by the Russian Foundation for Basic Research (project no. 20-02-00559 and 21-52-12033), the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (project no. 19-42-240016) and the President Council on Grants (project no. MK-2339.2020.2). The authors acknowledge financial support from the Spanish Ministry of Economy, Industry and Competitiveness (MINECO Grant No. MAT2017-83468-R and from the regional Government of Aragon (E12-20R RASMIA project)
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
Аннотация: The ludwigite Co2FeBO5 has been studied experimentally using 57Fe Mössbauer spectroscopy and theoretically using DFT + GGA calculations. The room-temperature Mössbauer spectra are composed of four quadrupole doublets corresponding to the high-spin Fe3+ ions in octahedral oxygen coordination. All components undergo splitting below 117 K due to the magnetic hyperfine fields. The DFT + GGA calculations performed for three models of Fe ion distributions have revealed that the ground state corresponds to the “Fe4(HS)” model with the high-spin Fe3+ ions located at the M4 site and the high-spin Co2+ ions located at the M1, M2, and M3 sites. A ferrimagnetic ground state, with the Co and Fe magnetic moments being nearly parallel to the b-axis and a total magnetic moment of circa 1.1μB f.u.−1, was found. The other Fe distributions cause an increase in the local octahedral distortions and transformation of the spin state. The calculated quadrupole splitting values are in good agreement with the experimental values obtained by Mössbauer spectroscopy.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antuzevics A., Rogulis U., Fedotovs A., Berzins D., Voronov V. N., Purans J.
Заглавие : EPR study of Gd3+ local structure in ScF3 crystal with negative thermal expansion coefficient
Место публикации : Phys. Scr.: IOP Publishing, 2015. - Vol. 90, Is. 11. - Ст.115801. - ISSN 0031-8949, DOI 10.1088/0031-8949/90/11/115801
Примечания : Cited References: 32. - We are grateful to Professor S Ovchinnikov for providing ScFINF3/INF samples. This work was supported by L-KC-11-0005 project Nr.KC/2.1.2.1.1/10/01/006,5.3
Предметные рубрики: ELECTRON-PARAMAGNETIC-RESONANCE
SPIN-HAMILTONIAN PARAMETERS
SINGLE-CRYSTALS
SUPERPOSITION-MODEL
CENTERS
SPECTRA
PHASE
TEMPERATURE
SIMULATION
Ключевые слова (''Своб.индексиров.''): electron paramagnetic resonance--gd3+--scf3--negative thermal expansion
Аннотация: Zero field splitting (ZFS) of Gd3+ impurity in ScF3 is studied by electron paramagnetic resonance at 77 and 295 K. ZFS parameter b4 values obtained from angular dependence simulations show that regardless of negative thermal expansion in ScF3 temperature dependence of |b4| is similar to other cubic fluoroperovskites. Our analysis of ZFS parameters indicates that the local structure of Gd3+ centres expands positively with temperature. © 2015 The Royal Swedish Academy of Sciences.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Reshak, Ali H., Alahmed Z. A., Bila J., Atuchin V. V., Bazarov B. G., Chimitova O. D., Molokeev M. S., Prosvirin, Igor P., Yelisseyev, Alexander P.
Заглавие : Exploration of the electronic structure of monoclinic α-Eu2(MoO4)3: DFT-based study and X-ray photoelectron spectroscopy
Коллективы : Russian Foundation for Basic Research [15-32-50586, 15-52-53080]; Ministry of Education and Science of the Russian Federation; CENTEM project - ERDF as part of the Ministry of Education, Youth and Sports OP RDI program [CZ.1.05/2.1.00/03.0088]; CENTEM PLUS - Ministry of Education, Youth and Sports [LO1402]
Место публикации : J. Phys. Chem. C: American Chemical Society, 2016. - Vol. 120, Is. 19. - P.10559-10568. - ISSN 1932-7447, DOI 10.1021/acs.jpcc.6b01489
Примечания : Cited References:85. - This work was partly supported by the Russian Foundation for Basic Research (Grants 15-32-50586 and 15-52-53080). V.V.A. gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support. A.H.R. would like to acknowledge the CENTEM project, reg. no. CZ.1.05/2.1.00/03.0088, cofunded by the ERDF as part of the Ministry of Education, Youth and Sports OP RDI program and, in the follow-up sustainability stage, supported through CENTEM PLUS (LO1402) by financial means from the Ministry of Education, Youth and Sports under the "National Sustainability Programme I". Computational resources were provided by MetaCentrum (LM2010005) and CERIT-SC (CZ.1.05/3.2.00/08.0144) infrastructures.
Предметные рубрики: Density-functional theory
Solid-solution phosphors
Luminescence properties
Optical-properties
Cleaved surface
Core levels
Vibrational properties
Physical-properties
Crystal-structure
Single-crystals
Аннотация: The powder α-Eu2(MoO4)3 sample was prepared by the solid-state reaction method. The phase purity of the final powder product was verified by X-ray diffraction analysis. The constituent element core levels and valence band are measured by X-ray photoelectron spectroscopy as a function of Ar+ ion (2.5 keV, 7-8 μA/cm2) bombardment time. The formation of Mo5+ and Mo4+ states at high bombardment times was detected. The Eu-O and Mo-O bonding was considered in comparison with other Eu3+- and Mo6+-containing oxides using binding energy difference parameters. The transparency range obtained for the pure α-Eu2(MoO4)3 tablet is λ = 0.41-0.97 μm, as estimated at the transmission level of 5%. The short-wavelength cut edge in α-Eu2(MoO4)3 is governed by the direct allowed optical transitions within the band gap of Eg = 3.74 eV (300 K). The band structure of α-Eu2(MoO4)3 was calculated by ab initio methods and strongly different results were obtained for the spin up/down configurations. The Eu-4f states are located around 2.2 eV and -4.0 eV for spin up (↑) and the structures situated at around 6.5 and 5.5 eV for spin down (↓) configuration. The calculated spin magnetic moments are in excellent relation to the Slater-Pauling rule and within the Eu sphere the magnetic moment of 4f electrons is ∼5.99 μB. © 2016 American Chemical Society.
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10.

Вид документа : Однотомное издание
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Molokeev M. S., Laptash N. M.
Заглавие : Ferroelastic and ferroelectric phase transitions in fluoro- and oxyfluorometallates
Место публикации : Photonic and electronic properties of fluoride materials: Elsevier, 2016. - Chapter 16. - P.355-381. - (Progress in fluorine science series). - , DOI 10.1016/B978-0-12-801639-8.00016-7
Примечания : Cited References: 92. - The reported study was partially supported by RFBR, research project No. 15-02-02009 a
Предметные рубрики: ELASTIC NEUTRON-DIFFRACTION
ORIENTATIONAL DISORDER
CRYSTAL-STRUCTURES
THERMODYNAMIC PROPERTIES
NONCRITICAL PARAMETERS
CUBIC PEROVSKITES
RAMAN-SCATTERING
SINGLE-CRYSTALS
A2BX4 STRUCTURE
HIGH-RESOLUTION
Аннотация: Different degree of structural disorder is one of the main features of many fluoro- and oxyfluorometallates crystallizing in high symmetry structures. The comprehensive study of these compounds (perovskites, elpasolites, pyrochlores, etc.) enabled to determine a great effect of the size and shape as well as crystallographic sites of cationic and anionic species on the mechanism of structural ordering. Ferroelastic and ferroelectric phase transitions of different order, type, and succession can be realized as a result of chemical and hydrostatic pressure change. It was found that the substitution of monoatomic cations for tetrahedral ammonium group was accompanied by rather significant change of electron density distribution, entropy, and phase diagrams. Some compounds studied were considered to be promising solid-state refrigerants owing to the pronounced barocaloric effect resulting from large entropy and baric coefficient of phase transitions.
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