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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Li, Oksana A., Lin, Chun-Rong, Chen, Hung-Yi, Hsu, Hua-Shu, Wu, Kai-Wun, Tseng, Yaw-Teng, Bayukov O. A., Edelman I. S., Ovchinnikov S. G., Shih, Kun-Yauh
Заглавие : Structural and magnetic properties of Fe1−xCoxSe1.09 nanoparticles obtained by thermal decomposition
Место публикации : Mater. Res. Express: IOP Publishing, 2015. - Vol. 2, No. 12. - Ст.126501. - ISSN 2053-1591, DOI 10.1088/2053-1591/2/12/126501
Примечания : Cited References: 30. - This work is supported by the Ministry of Science and Technology of Taiwan (MOST103-2811-M-153 -001 and MOST102-2112-M-153 -002 -MY3).
Предметные рубрики: X-RAY-DIFFRACTION
MOSSBAUER-SPECTROSCOPY
CRYSTAL-STRUCTURES
IRON SELENIDES
SUPERCONDUCTIVITY
FeSe
MARCASITE
PYRITE
Ключевые слова (''Своб.индексиров.''): nanoparticles--chalcogenide--iron-cobalt selenide--ferrimagnetism--paramagnetism--mossbauer spectroscopy
Аннотация: A series of Fe1−xCoxSe1.09 (x = 0 to ) nanoparticles were synthesized by thermal decomposition method. Particles in composition range Fe0.5Co0.5Se1.09 to CoSe1.09 crystallized in monoclinic structure of Co6.8Se8 , while FeSe1.09 crystallized in hexagonal structure of FeSe achavalite. Magnetization dependences on temperature and external magnetic field reveal complicated magnetic behavior and correspond to the sum of paramagnetic and superparamagnetic response. Mössbauer spectra contain several paramagnetic doublets with parameters corresponding to nonequivalent positions of divalent and trivalent iron cations with low spin. The nonequivalent positions appeared due to inhomogeneous distribution of Co ions or metal vacancies in iron surrounding.
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2.

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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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fokina V. D., Bovina A. F., Bogdanov E. V., Pogorel'tsev E. I., Laptash N. M., Gorev M. V., Flerov I. N.
Заглавие : Specific heat, cell parameters, phase T-p diagram, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4
Разночтения заглавия :авие SCOPUS: Specific heat, cell parameters, phase T-p diagram, and permittivity of cryolite (NH4)3Nb(O2)2F4
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 10. - P2147-2153. - ISSN 1063-7834, DOI 10.1134/S1063783411100131
Примечания : Cited References: 19. - This study was performed within the Interdisciplinary integration project of the Siberian Branch of the Russian Academy of Science no. 34 and supported by the grant of the President of the Russian Federation for Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2).
Предметные рубрики: CRYSTAL-STRUCTURES
TRANSITIONS
(NH4)(3)TIOF5
OXYFLUORIDE
COMPLEXES
CAPACITY
DISORDER
Аннотация: The temperature dependences of the specific heat, unit cell parameters, susceptibility to hydrostatic pressure, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4 have been studied. Phase transitions of nonferroelectric nature have been detected. Entropy parameters point to the relation of structure distortions to ordering processes.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Fokina V. D., Molokeev M. S., Vasil'ev A. D., Bovina A. F., Laptash N. M.
Заглавие : Heat capacity, structural disorder, and the phase transition in cryolite (NH4)(3)Ti(O-2)F-5
Разночтения заглавия :авие SCOPUS: Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 48, Is. 8. - P1559-1567. - ISSN 1063-7834, DOI 10.1134/S1063783406080221
Примечания : Cited References: 18
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
CRYSTAL-STRUCTURES
(NH4)(3)TIOF5
(NH4)(3)WO3F3
DIFFRACTION
Аннотация: The heat capacity, T-p phase diagrams, and unit cell parameters of cryolite (NH4)(3)Ti(O-2)F-5 were studied over a wide temperature range. A phase transition was found near 226 K, and its thermodynamic characteristics and their dependence on the crystallization conditions were determined. The coordinates and thermal parameters of atoms in the Fm3m phase were refined. An analysis of the electron density distribution and the transition entropy showed that the mechanism of the structural transition involves, above all, rotation of the Ti(O-2)F-5 octahedra. Possible models of disordering of tetrahedral ammonium groups are considered.
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5.

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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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Azarapin N. O., Oreshonkov A. S., Razumkova I. A., Aleksandrovsky A. S., Maximov N. G., Leonidov I. I., Shestakov N. P., Andreev O. V.
Заглавие : Evolution of structural, thermal, optical, and vibrational properties of Sc2S3, ScCuS2, and BaScCuS3 semiconductors
Коллективы : Ministry of Science and Higher Education of the Russian Federation [05.594.21.0019, UIN RFME-FI59420X0019]; ISSC UB RAS [AAAA-A19-119031890025-9]
Место публикации : Eur. J. Inorg. Chem. - 2021. - Vol. 2021, Is. 33. - P.3355-3366. - ISSN 1434-1948, DOI 10.1002/ejic.202100292. - ISSN 1099-0682(eISSN)
Примечания : Cited References: 50. - The work was partially carried out using the resources of the Research Resource Center "Natural Resources Management and Physico-Chemical Research" (Tyumen University) with financial support from the Ministry of Science and Higher Education of the Russian Federation (contract No. 05.594.21.0019, UIN RFMEFI59420X0019). The Raman spectroscopic studies were carried out at the collaborative research center for vibrational spectroscopy at ISSC UB RAS (Ekaterinburg, Russia). I.I.L. would like to acknowledge the support from the Research Program No. AAAA-A19-119031890025-9 (ISSC UB RAS). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center "Krasnoyarsk Science Center SB RAS" is acknowledged." The authors are grateful to Dr. Elena V. Vladimirova (ISSC UB RAS) for technical assistance
Предметные рубрики: RARE-EARTH
QUATERNARY CHALCOGENIDES
CRYSTAL-STRUCTURES
Аннотация: In the present work, we report on the synthesis of Sc2S3, ScCuS2 and BaScCuS3 powders using a method based on oxides sulfidation and modification of their properties. The crystal structures and morphology of samples are verified by XRD and SEM techniques. Thermal stability has been studied by DTA which has revealed that Sc2S3 decomposes to ScS through melting at 1877 K. ScCuS2 and BaScCuS3 melt incongruently at temperatures of 1618 K and 1535 K, respectively. The electronic structure calculations show that the investigated compounds are semiconductors with indirect band gap (Eg). According to the diffuse reflection spectroscopy, Sc2S3, ScCuS2 and BaScCuS3 are wide-bandgap semiconductors featured the Eg values of 2.53 eV, 2.05 eV and 2.06 eV, respectively. The band gap decreases with the introduction of copper (I) and barium cations into the crystal structure of the compounds. Variation of local structure has been verified by Raman and infrared spectroscopy. The calculated vibrational modes of ScCuS2 correspond to CuS4 and Sc−S layer vibrations, even though ScS6 octahedra-like structural units can be found in the structure.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grigoriev, Maxim V., Solovyov, Leonid A., Ruseikina, Anna V., Aleksandrovsky A. S., Chernyshev, Vladimir A., Velikanov D. A., Garmonov, Alexander A., Molokeev M. S., Oreshonkov A. S., Shestakov N. P., Matigorov, Alexey V., Volkova, Svetlana S., Ostapchuk, Evgeniy A., Kertman, Alexander V., Schleid, Thomas, Safin, Damir A.
Заглавие : Quaternary selenides EuLnCuSe3: Synthesis, structures, properties and in silico studies
Место публикации : Int. J. Mol. Sci. - 2022. - Vol. 23, Is. 3. - Ст.1503. - ISSN 1422-0067(eISSN), DOI 10.3390/ijms23031503
Примечания : Cited References: 90
Предметные рубрики: RARE-EARTH
CRYSTAL-STRUCTURES
MAGNETIC-PROPERTIES
THERMOELECTRIC PERFORMANCE
Аннотация: In this work, we report on the synthesis, in-depth crystal structure studies as well as optical and magnetic properties of newly synthesized heterometallic quaternary selenides of the Eu+2Ln+3Cu+1Se3 composition. Crystal structures of the obtained compounds were refined by the derivative difference minimization (DDM) method from the powder X-ray diffraction data. The structures are found to belong to orthorhombic space groups Pnma (structure type Ba2MnS3 for EuLaCuSe3 and structure type Eu2CuS3 for EuLnCuSe3, where Ln = Sm, Gd, Tb, Dy, Ho and Y) and Cmcm (structure type KZrCuS3 for EuLnCuSe3, where Ln = Tm, Yb and Lu). Space groups Pnma and Cmcm were delimited based on the tolerance factor t’, and vibrational spectroscopy additionally confirmed the formation of three structural types. With a decrease in the ionic radius of Ln3+ in the reported structures, the distortion of the (LnCuSe3) layers decreases, and a gradual formation of the more symmetric structure occurs in the sequence Ba2MnS3 → Eu2CuS3 → KZrCuS3. According to magnetic studies, compounds EuLnCuSe3 (Ln = Tb, Dy, Ho and Tm) each exhibit ferrimagnetic properties with transition temperatures ranging from 4.7 to 6.3 K. A negative magnetization effect is observed for compound EuHoCuSe3 at temperatures below 4.8 K. The magnetic properties of the discussed selenides and isostructural sulfides were compared. The direct optical band gaps for EuLnCuSe3, subtracted from the corresponding diffuse reflectance spectra, were found to be 1.87–2.09 eV. Deviation between experimental and calculated band gaps is ascribed to lower d states of Eu2+ in the crystal field of EuLnCuSe3, while anomalous narrowing of the band gap of EuYbCuSe3 is explained by the low-lying charge-transfer state. Ab initio calculations of the crystal structures, elastic properties and phonon spectra of the reported compounds were performed.
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