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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Frolov K. V., Lyubutin I. S., Smirnova E. S., Alekseeva O. A., Bezmaternykh L. N., Gudim, I. A.
Заглавие : Magnetic and structural properties of the NdFe3(BO3)4 AND SmFe3(BO3)4 multiferroics studied with mossbauer spectroscopy
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова, Российский фонд фундаментальных исследований
Место публикации : Moscow International Symposium on Magnetism (MISM-2017): 1-7 July 2017 : book of abstracts. - 2017. - Ст.4PO-J-42. - P.921 (Шифр 29916280)
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnova E. S., Alekseeva O. A., Dudka A. P., Verin I. A., Artemov V. V., Bezmaternykh L. N., Gudim I. A., Frolov K. V., Lyubutin I. S.
Заглавие : Structure of Gd0.95Bi0.05Fe3(BO3)4single crystals at 293 and 90 K
Место публикации : Crystallogr. Rep.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 61, Is. 4. - P.558-565. - ISSN 10637745 (ISSN), DOI 10.1134/S1063774516040192
Примечания : Cited References: 27. - This study was performed using the equipment of the Center of Collective Use of the Shubnikov Institute of Crystallography of the Russian Academy of Sciences and it was supported by the Ministry of Education and Science of the Russian Federation (Project RFMEFI62114X0005) and in part by the Russian Foundation for Basic Research (Grant nos. 14-02-00483 and 14-02-00307) and the Federal Program on Support of Leading Scientific Schools (Grant no. NSh-6617.2016.5).
Предметные рубрики: TRIGONAL GdFe3(BO3)4
PHASE-TRANSITIONS
IRON
Аннотация: The structure of GdFe3(BO3)4 single crystals has been studied by X-ray diffraction at 293 and 90 K. The crystals are grown from a flux in the Bi2Mo3O12–B2O3–Li2MoO4–Gd2O3–Fe2O3 system. The results of chemical analysis and structural study show that these crystals contain bismuth as an impurity. It is found that bismuth atoms are located at gadolinium sites in the structure. A decrease in the temperature is accompanied by a lowering of the symmetry from sp. gr. R32 (at 293 K) to sp. gr. P3121 (at 90 K). The presence of two types of iron chains with different geometries at 90 K promotes a change in the magnetic properties of these crystals with a decrease in the temperature. © 2016, Pleiades Publishing, Inc.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lyubutin I. S., Gavriliuk A. G., Andryushin N. D., Pavlovskiy M. S., Zinenko V. I., Lyubutina M. V., Troyan I. A., Smirnova E. S.
Заглавие : Pressure-Induced Structural Transition to the Polar Phase in GdFe3(BO3)4
Место публикации : Cryst. Growth Des. - 2019. - Vol. 19, Is. 12. - P.6935-6944. - ISSN 15287483 (ISSN), DOI 10.1021/acs.cgd.9b00609
Примечания : Cited References: 39. - The authors express their deep gratitude to Prof. S. G. Ovchinnikov for initiating this work and fruitful discussions. These studies were performed with the support of the Ministry of Science and Higher Education within the State assignment FSRC "Crystallography and Photonics" RAS in part for the synchrotron Mössbauer measurements. Support from RFBR Grant No. 17-02-00766 in part for the Raman spectroscopy measurements and from No. 18-02-00696 in part for the theoretical calculations is also acknowledged. For preparation and tests of high-pressure cells, (39) the facilities of Center for Collective Use “Accelerator Center for Neutron Research of the Structure of Substance and Nuclear Medicine” of the INR RAS were used.
Аннотация: The GdFe3(BO3)4 crystal has attracted great interest as a magnetic-field-induced multiferroic. In this paper, we show that the multiferroic properties in this crystal can be induced by high pressure. At high pressures up to 50 GPa, created in diamond anvil cells, the structural and vibrational (phonon) properties of the GdFe3(BO3)4 crystal were studied. The structural phase transition was detected at about 23–25 GPa by Raman and synchrotron Mössbauer (NFS) spectroscopy. First-principle calculations of the crystal lattice dynamics at pressures below and above the structural transition were carried out. It was established that at pressures above the structural transition, the space group R32 of GdFe3(BO3)4 is changed to the polar space group R3, and the crystal becomes a ferroelectric. At the R32 → R3 transition, the displacement of the boron ion B(2) and oxygen O results in the formation of boron–oxygen B(2)O4 tetrahedrons instead of the plane BO3 triangles. Meanwhile, the triangle oxygen environment of boron in the site B(1) remains unchanged. The nearest environment of the gadolinium ion also changes significantly. Instead of six oxygen ions in the R32 phase, the nearest surroundings of Gd in the R3 phase consist of nine oxygen ions forming a complex polyhedron. A large hysteresis of the transition indicates that this crystal remains a ferroelectric with a decrease in pressure to about ambient pressure.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Frolov K. V., Lyubutin I. S., Alekseeva O. A., Smirnova E. S., Verin I. A., Temerov V. L., Bezmaternykh L. N., Gudim I. A., Artemov V. V., Dmitrieva T. V.
Заглавие : Dynamics of structural and magnetic phase transitions in ferroborate YFe3(BO3)4
Место публикации : J. Alloys Compd. - 2018. - Vol. 748. - P.989-994. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2018.03.243
Примечания : Cited References: 58. - We thank Dr. A.P. Dudka for help in the low temperature XRD measurements and Dr. D.Yu. Chernyshov for help in the synchrotron XRD measurements. This study was supported by the Federal Agency of Scientific Organizations (Agreement No 007-ГЗ/Ч3363/26 ) in parts of energy-dispersive X-ray microanalysis, high-temperature XRD, and Mossbauer measurements, by the Russian Foundation for Basic Research (project #17-02-00766а ) in parts of low-temperature XRD and Mossbauer measurements, Russian Ministry of Education and Science and performed using the equipment of the Shared Research Center of the Shubnikov Institute of Crystallography of FSRC “Crystallography and Photonics” RAS.
Ключевые слова (''Своб.индексиров.''): multiferroics--rare-earth compounds--x-ray diffraction--mossbauer spectroscopy--crystal structure
Аннотация: X-ray analysis of the YFe3(BO3)4 single crystal revealed different behavior of parameters of the crystal cell with an increase in temperature from 25 to 500 K. The parameters a and b initially increase monotonically and then rise sharply in the range between 360 and 380 K, which corresponds to the structural phase transition. The parameter c initially decreases linearly upon heating and then begins to increase, passing through a minimum at 90 K. In the interval of 200–500 K the parameter c grows linearly and does not undergo anomalies at the structural phase transition. The results of Mössbauer measurements at 57Fe nuclei in the paramagnetic phase of YFe3(BO3)4 correlate well with the XRD data, but they do not separate the two structural states of iron ions Fe1 and Fe2 arising in the P3121 phase during the structural phase transition. The temperature of the magnetic phase transition TN = 39.42(16) K is established, below which the iron ions form a 3D magnetic order of the Heisenberg type. The calculated “Mössbauer” Debye temperature ΘM = 340(2) K turned out to be three times lower than the Debye temperature of the entire crystal lattice TD = 1020 K. Mössbauer data indicate a weak bonding between the helicoidal chains of iron and the rest of the crystal lattice.Рентгеновский анализ монокристалла YFe3(bo3-серии)4 выявил различие в поведении параметров кристаллической ячейки с увеличением температуры от 25 до 500 к. Параметры a и b сначала монотонно возрастают, а затем резко поднимется в диапазон между 360 и 380 К, что соответствует структурному фазовому переходу. Параметр c сначала линейно уменьшается при нагревании, а затем начинает возрастать, проходя через минимум при 90 K. В интервале 200-500 K параметр c растет линейно и не претерпевает аномалий при структурном фазовом переходе. Результаты Мёсбауэровской спектроскопии ядер 57Fe в парамагнитной фазе в YFe3(BO3)4 коррелируют с РСА, но они не разделяют двух структурных состояний ионов железа Fe1 и Fe2, возникающие в фазе P3121 в процессе структурного перехода. Установили температуру магнитного фазового перехода TN= 39.42(16) К, в результате которого ионы железа образуют 3D магнитный порядок типа Гейзенберга. Рассчитанная по Мёссбауэру Дебаевская температура QM= 340(2) K оказалась в три раза ниже температуры Дебая внутри кристаллической решетки TD= 1020 K. Данные Мёсбауэра указывают на слабую связь между геликоидальными цепочками железной и остальных кристаллических решеток.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lyubutin I. S., Ovchinnikov S. G., Gavriliuk A. G., Struzhkin V. V.
Заглавие : Spin-crossover-induced Mott transition and the other scenarios of metallization in 3d(n) metal compounds
Разночтения заглавия :авие SCOPUS: Spin-crossover-induced Mott transition and the other scenarios of metallization in 3 dn metal compounds
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2009. - Vol. 79, Is. 8. - Ст.85125. - ISSN 1098-0121, DOI 10.1103/PhysRevB.79.085125
Примечания : Cited References: 41
Предметные рубрики: RARE-EARTH ORTHOFERRITES
NARROW ENERGY BANDS
HIGH-PRESSURE
MAGNETIC COLLAPSE
ELECTRON CORRELATIONS
PHASE-TRANSITION
STATE
Y3FE5O12
OXIDES
EQUATION
Ключевые слова (''Своб.индексиров.''): bismuth compounds--hubbard model--localised states--metal-insulator transition--metallisation--spin systems
Аннотация: A different "Hubbard energy control" mechanism of the insulator-metal transition (IMT) in Mott-Hubbard insulators is discussed. This mechanism can be initiated by the lattice compression and it is driven by a spin crossover of 3d(5) ions from the high-spin state to the low-spin state. The spin crossover suppresses the effective Hubbard parameter U-eff down to the value enabling the insulator-metal transition according to the Mott mechanism U-eff/W approximate to 1. The classification of possible scenarios of metallization in the other 3d(n) metal compounds is also performed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavriliuk A. G., Trojan I. A., Ovchinnikov S. G., Lyubutin I. S., Sarkisyan V. A.
Заглавие : The mechanism of suppression of strong electron correlations in FeBO3 at high pressures
Разночтения заглавия :авие SCOPUS: The mechanism of suppression of strong electron correlations in FeBO 3 at high pressures
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2004. - Vol. 99, Is. 3. - P566-573. - ISSN 1063-7761, DOI 10.1134/1.1809686
Примечания : Cited References: 18
Предметные рубрики: MAGNETIC COLLAPSE
TRANSITION
SPECTRA
ABSORPTION
STATE
Ключевые слова (''Своб.индексиров.''): crystal structure--high pressure effects--light absorption--parameter estimation--phase transitions--spectrum analysis--crystal field--electron correlations--generalized tight binding method--hybridization--iron compounds
Аннотация: The optical absorption spectra of iron borate (FeBO3) are measured at high pressures up to P = 82 GPa. A mechanism of suppression of strong electron correlations is proposed within the framework of the generalized tight binding method, which leads to the experimentally observed magnetic, electronic, and structural phase transitions. Taking into account peculiarities of the crystal structure of FeBO3 and the strong s-p hybridization of boron and oxygen, it is established that, as the distance between ions varies with increasing pressure, the crystal field parameter begins to play a decisive role in the electron transitions, while the influence of the d band broadening is negligibly small. Parameters of the theory are calculated as functions of the pressure. (C) 2004 MAIK "Nauka / Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavriliuk A. G., Kharlamova S. A., Lyubutin I. S., Troyan I. A., Ovchinnikov S. G., Potseluiko A. M., Eremets M. I., Boehler R.
Заглавие : Structural and electronic transitions in gadolinium iron borate GdFe3(BO3)(4) at high pressures
Место публикации : JETP Letters. - 2004. - Vol. 80, Is. 6. - P.426-432. - ISSN 0021-3640, DOI 10.1134/1.1830662
Примечания : Cited References: 20
Предметные рубрики: TRIGONAL GDFE3(BO3)(4)
RM(3)(BO3)(4) CRYSTALS
OPTICAL-SPECTRA
BAND-STRUCTURE
FEBO3
GROWTH
Аннотация: The optical properties and structure of gadolinium iron borate GdFe3(BO3)(4) crystals are studied at high pressures produced in diamond-anvil cells. X-ray diffraction data obtained at a pressure of 25.6 GPa reveal a first-order phase transition retaining the trigonal symmetry and increasing the unit cell volume by 8%. The equation of state is obtained and the compressibility of the crystal is estimated before and after the phase transition. The optical spectra reveal two electronic transitions at pressures similar to26 GPa and similar to43 GPa. Upon the first transition, the optical gap decreases jumpwise from 3.1 to similar to2.25 eV. Upon the second transition at P = 43 GPa, the optical gap deceases down to similar to0.7 eV, demonstrating a dielectric-semiconductor transition. By using the theoretical model developed for a FeBO3 crystal and taking into account some structural analogs of these materials, the anomalies of the high-pressure optical spectra are explained. (C) 2004 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Gavriliuk A. G., Ovchinnikov S. G., Lyubutin I. S., Edel'man I. S., Rudenko V. V.
Заглавие : Evolution of the optical absorption spectra and electronic structure of the VBO3 crystal under high pressures
Коллективы : Russian Foundation for Basic Research [07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, 07-02-00226]; Federal Agency for Science and Innovation [MK-4278.2008.2, 01.164.12.HB11]; Russian Academy of Sciences
Место публикации : J. Exp. Theor. Phys. - 2009. - Vol. 109, Is. 3. - P.455-465. - ISSN 1063-7761, DOI 10.1134/S1063776109090118
Примечания : Cited References: 27. - We would like to thank A. D. Vasil'ev for performing the X-ray diffraction investigations.This study was supported by the Russian Foundation for Basic Research (project nos. 07-02-00490a, 08-02-00897a, 08-02-90708 mob_st, 09-02-00171a, and 07-02-00226), the Federal Agency for Science and Innovation (Rosnauka) (project no. MK-4278.2008.2, contract no. 01.164.12.HB11), and the Branch of Physical Sciences of the Russian Academy of Sciences within the framework of the program "Strongly Correlated Electrons."
Предметные рубрики: BAND-STRUCTURE
PHASE-TRANSITION
FEBO3
FE1-XVXBO3
STATE
MODEL
Ключевые слова (''Своб.индексиров.''): charge-transfer excitations--d-d transitions--ferromagnetic semiconductor--fundamental absorption edge--high pressure--optical absorption spectrum--absorption--boron--boron compounds--electronic properties--electronic structure--optical materials--oxygen--vanadium--light absorption
Аннотация: The evolution of optical absorption spectra of the ferromagnetic semiconductor VBO3 under high pressures up to 70 GPa has been investigated. It has been revealed that, below the fundamental absorption edge (E (g1) = 3.02 eV), the spectra exhibit a series of bands V1 (2.87 eV), V2 (2.45 eV), V3 (1.72 eV), and V4(1.21 eV) due to the d-d transitions in the V3+ ion and charge-transfer excitations. A model of the electronic structure of the VBO3 semiconductor has been constructed. This model combines the one-electron description of the s and p states of boron and oxygen and the many-electron description of the vanadium d states.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lyubutin I. S., Gavriliuk A. G., Struzhkin V. V., Ovchinnikov S. G., Kharlamova S. A., Bezmaternykh L. N., Hu M., Chow P.
Заглавие : Pressure-induced electron spin transition in the paramagnetic phase of the GdFe3(BO3)(4) Heisenberg magnet
Разночтения заглавия :авие SCOPUS: Pressure-induced electron spin transition in the paramagnetic phase of the GdFe3(BO3)4 Heisenberg magnet
Место публикации : JETP Letters. - 2006. - Vol. 84, Is. 9. - P.518-523. - ISSN 0021-3640, DOI 10.1134/S0021364006210119
Примечания : Cited References: 26
Предметные рубрики: TRIGONAL GDFE3(BO3)(4)
NUCLEAR
FEBO3
STATE
SCATTERING
COLLAPSE
Аннотация: The HS - LS spin crossover effect (high-spin - low-spin transition) induced by high pressure in the range 45-53 GPa is observed in trivalent Fe3+ ions in the paramagnetic phase of a (GdFe3)-Fe-57(BO3)(4) gadolinium iron borate crystal. This effect is studied in high-pressure diamond-anvil cells by two experimental methods using synchrotron radiation: nuclear resonant forward scattering (NFS) and Fe K-beta high-resolution x-ray emission spectroscopy (YES). The manifestation of the crossover in the paramagnetic phase, which has no order parameter to distinguish between the HS and LS states, correlates with the optical-gap jump and with the insulator-semiconductor transition in the crystal. Based on a theoretical many-electron model, an explanation of this effect at high pressures is proposed.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Alekseeva O. A., Smirnova E. S., Frolov K. V., Lyubutina M. V., Lyubutin I. S., Gudim I. A.
Заглавие : Crystal structure dynamics of RFe3(BO3)4 single crystals in the temperature range 25–500 K
Место публикации : Crystals. - 2022. - Vol. 12, Is. 9. - Ст.1203. - ISSN 20734352 (ISSN), DOI 10.3390/cryst12091203
Примечания : Cited References: 67. - This research was funded by the Ministry of Science and Higher Education within the State assignment FSRC ‘Crystallography and Photonics’ RAS 075-01025-22-00
Аннотация: The multiferroic RFe3(BO3)4 family is characterized by diverse magnetic, magnetoelectric, and magnetoelastic properties, the fundamental aspects of which are essential for modern electronics. The present research, using single-crystal X-ray diffraction (XRD) and Mossbauer spectroscopy (MS) in the temperature range of 25–500 K, aimed to analyze the influence of local atomic coordination on magnetoelectric properties and exchange and super-exchange interactions in RFe3(BO3)4. Low-temperature, single-crystal XRD data of the magnetically ordered phase of RFe3(BO3)4 at 25 K, which were obtained for the first time, were supplemented with data obtained at higher temperatures, making it possible to draw conclusions about the mechanism of the structural dynamics. It was shown that, in structures with R = Gd, Ho, and Y (low-temperature space group P3121), a shift in oxygen atoms (O2, second coordination sphere of R atoms) was accompanied by rotation of the B2O3 triangle toward R atoms at low temperatures, and by different rearrangements in iron chains of two types, in contrast to Nd and Sm iron borates (space group R32). These rearrangements in the structures of space group P3121 affected the exchange and super-exchange paths at low temperatures. The MS results confirm the influence of the distant environment of atoms on the magnetoelectric properties of rare-earth iron borates at low temperatures.
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