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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavryushkin P. N., Popov Z. I., Litasov K. D., Gavryushkin A.
Заглавие : Unbiased crystal structure prediction of NiSi under high pressure
Место публикации : J. Appl. Crystallogr.: Wiley-Blackwell, 2015. - Vol. 48, No. 3. - P.906-908. - ISSN 0021, DOI 10.1107/S1600576715005488. - ISSN 16005767(eISSN)
Примечания : Cited References:29. - We thank the Information Technology Centre of Novosibirsk State University for providing access to the cluster computational resources. The research was financially supported by the Russian Science Foundation (grant No. 14-17-00601) and performed under the program of the Ministry of Education and Science of Russia (project No. 14.B25.31.0032). The work of ZIP is supported by the Leading Science School program (No. NS-2886.2014.2).
Предметные рубрики: AUGMENTED-WAVE METHOD
PHASE-TRANSITIONS
STABILITY
EQUATIONS
STATE
Ключевые слова (''Своб.индексиров.''): earth's core--pressure--ab initio calculations--fesi--nisi--cosi--mnsi--isomorphism
Аннотация: On the basis of an unbiased structure prediction, it is shown that the stable form of NiSi under pressures of 100 and 200 GPa is the Pmmn structure. Furthermore, a new stable phase has been discovered: the deformed tetragonal CsCl-type structure with a = 2.174 Å and c = 2.69 Å at 400 GPa. Specifically, the sequence of high-pressure phase transitions is the following: the Pmmn structure below 213 GPa, the tetragonal CsCl type in the range 213–522 GPa, and cubic CsCl higher than 522 GPa. As the CsCl-type structure is considered as the model structure of the FeSi compound at the conditions of the Earth's core, this result implies restrictions on the Fe–Ni isomorphic miscibility in FeSi.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Afanas'ev M. L., Ushakova T. V.
Заглавие : Thermodynamic properties of (NH4)(2)KGaF6 elpasolite
Разночтения заглавия :авие SCOPUS: Thermodynamic properties of (NH4)2KGaF6 elpasolite
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2001. - Vol. 43, Is. 12. - P2301-2306. - ISSN 1063-7834, DOI 10.1134/1.1427960
Примечания : Cited References: 19
Предметные рубрики: NUCLEAR MAGNETIC-RESONANCE
PHASE-TRANSITIONS
CRYOLITE (NH4)(3)SCF6
MOTIONS
F-19
H-1
Аннотация: The heat capacity of (NH4)(2)KGaF6 elpasolite is measured in the temperature range from 80 to 350 K. A sequence of three phase transitions at T-1 = 288.5 K, T-2 = 250 K, and T-3 = 244.5 K is revealed, and the thermodynamic characteristics of these transitions are determined. The influence of hydrostatic pressure on the phase transition temperature is investigated. The results obtained are discussed within the model of orientational ordering of NH4+ and GaF63- ionic groups. (C) 2001 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pogorel'tsev E. I., Mel'nikova S. V., Kartashev A. V., Gorev M. V., Flerov I. N., Laptash N. M.
Заглавие : Thermal, optical, and dielectric properties of Fluoride Rb2TaF7
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243001]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2017. - Vol. 59, Is. 5. - P.986-991. - ISSN 1063-7834, DOI 10.1134/S1063783417050250. - ISSN 1090-6460(eISSN)
Примечания : Cited References:21. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project no. 16-42-243001.
Предметные рубрики: PHASE-TRANSITIONS
X-RAY
DISORDER
NMR
DIFFRACTION
OXYFLUORIDE
Аннотация: The thermal, optical, and dielectric properties of fluoride Rb2TaF7 were investigated. It was observed that the variation in chemical pressure in fluorides A2+TaF7 caused by the cation substitution of rubidium for ammonium does not affect the ferroelastic nature of structural distortions, but leads to stabilization of the high- and low-temperature phases and enhancement of birefringence. The entropy of the phase transition P4/nmm ↔ Cmma is typical of the shift transformations, which is consistent with a model of the initial and distorted phase structures. The anisotropy of chemical pressure causes the change of signs of the anomalous strain and baric coefficient dT/dp of Rb2TaF7 as compared with the values for its ammonium analog.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Melnikova S. V., Vasilev A. D., Kocharova A. G.
Заглавие : The role of structural and nonstructural water in oxyfluoride K2WO2F4 center dot H2O
Разночтения заглавия :авие SCOPUS: The role of structural and nonstructural water in oxyfluoride K2WO2F4 В· H2O
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 12. - P2435-2440. - ISSN 1063-7834, DOI 10.1134/S1063783411120146
Примечания : Cited References: 16. - This work was supported by the Presidential Grant of the Russian Federation NSh-4645.2010.2, by the Russian Foundation for Basic Research, project no. 09-02-00062, and by the Integration Project of the Siberian Branch of the Russian Academy of Sciences no. 101.
Предметные рубрики: PHASE-TRANSITIONS
OXOPEROXOFLUORO COMPLEXES
MO V
CRYSTAL STRUCTURE
OXOFLUORO
(NH4)(2)NBOF5
(NH4)(2)WO2F4
MONOHYDRATE
DISORDER
Аннотация: X-ray structural and polarization optical investigations have been performed, and birefringence and rotation angles of the optical indicatrix phi (b) and phi (c) of the K2WO2F4 center dot H2O crystal have been measured in the temperature range of 100-600 K. The structure and symmetry of compounds at room temperature have been refined. It has been established that the layered crystal K2WO2F4 center dot H2O can exist in two states (A and B) depending on the atmospheric humidity and undergoes the sequence of reversible and irreversible phase transformations G (3)↔ G (2)↣ G (1)↣ G (0). The sequences of changes in the phase symmetry P (1) over bar↔C2/m↣ {4/nmm for samples A and m↔ C2/m↣P4/nmm for samples B havve been found. The second older proper ferroelastic phase transition (P(1) over bar↔ C2/m) at T-03 = 2700-290 K (G (3)↔ G (2)) is accompanied by twinning and appearance of the shift deformation x (6). The crystal system of the substance for the B crystals remains invariable after the second-order phase transition G (3) a dagger" G (2). The irreversible first-order phase transition G (2)↣ G (1) occurs in a temperature range T (02) a parts per thousand 350-380 K; it is accompanied by the loss of the crystallization water, which then is reduced easily from the atmosphere for a day. The substance decomposes at T (01) approximate to 510 K (G (1)↣ G (0)). The distinction between the A and B crystals has been explained by the presence or absence of free water in interlayer spacings.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Shneyder E. I.
Заглавие : The Interplay of Phonon and Magnetic Mechanism of Pairing in Strongly Correlated Electron System of High-T-c Cuprates
Коллективы :
Разночтения заглавия :авие SCOPUS: The interplay of phonon and magnetic mechanism of pairing in strongly correlated electron system of high-T c cuprates
Место публикации : J. Supercond. Nov. Magn.: SPRINGER, 2010. - Vol. 23, Is. 5. - P733-736. - ISSN 1557-1939, DOI 10.1007/s10948-009-0633-z
Примечания : Cited References: 26. - This work is supported by the Presidium RAS program N 7 "Quantum physics of condensed matter," the integration project SORAN-UrORAN N 40, and the RFFI Grant 09-02-00127.
Предметные рубрики: PHASE-TRANSITIONS
OXIDE SUPERCONDUCTORS
SYMMETRY
COPPER
MODEL
BAND
BI2SR2CACU2O8+DELTA
LA2-XSRXCUO4
PB
Ключевые слова (''Своб.индексиров.''): high-t-c superconductivity--strong correlated electron systems--mechanisms of superconducting pairing--high-t c superconductivity--mechanisms of superconducting pairing--strong correlated electron systems--ab initio--buckling mode--correlated electron systems--critical temperatures--cuprates--fitting parameters--high-t--isotope effect--low energies--magnetic mechanisms--order of magnitude--phonon mode--strongly correlated electron system--strongly correlated electrons--superconducting pairing--superconductivity mechanism--type theory--buckling--copper compounds--electrons--isotopes--magnetic materials--phonons--superconductivity--superconducting magnets
Аннотация: We consider magnetic mechanism of superconducting pairing in the effective low energy t - t' - t '' - J* model with all parameters calculated ab initio. Interaction of strongly correlated electrons with different phonon modes is also incorporated. In a BCS type theory, the d(x2-y2) gap is given by a sum of magnetic and phonon contributions. The main contribution to the only fitting parameter G is determined by a competition of the breathing and buckling modes. Fitting the parameter G from the isotope effect, we obtain that magnetic and phonon contributions to the critical temperature T-c work together and are of the same order of magnitude.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzmenko A. M., Mukhin A. A., Ivanov, V. Yu., Komandin G. A., Shuvaev A., Pimenov A., Dziom V., Bezmaternykh L. N., Gudim I. A.
Заглавие : Terahertz spectroscopy of crystal-field transitions in magnetoelectric TmAl3(BO3)4
Коллективы : Russian Foundation for Basic Research [14-02-91000, 15-02-07647, 14-02-00307, 13-02-12442, 15-42-04186]; Sci. school [924.2014.2]; Austrian Science Funds [I815-N16, W-1243, P27098-N27]
Место публикации : Phys. Rev. B: American Physical Society, 2016. - Vol. 94, Is. 17. - Ст.174419. - ISSN 2469-9950, DOI 10.1103/PhysRevB.94.174419. - ISSN 2469-9969(eISSN)
Примечания : Cited References:35. - This work was partially supported by the Russian Foundation for Basic Research (Grants No. 14-02-91000, No. 15-02-07647, No. 14-02-00307, No. 13-02-12442, and No. 15-42-04186), Sci. school-924.2014.2, and by the Austrian Science Funds (Grants No. I815-N16, No. W-1243, and No. P27098-N27).
Предметные рубрики: ELECTRIC POLARIZATION
PHASE-TRANSITIONS
SINGLE-CRYSTALS
Аннотация: Dynamic magnetic properties of magnetoelectric TmAl3(BO3)4 borate have been investigated by terahertz spectroscopy. Crystal-field transitions within the ground multiplet H36 of Tm3+ ions are observed and they are identified as magnetic-dipole transitions from the ground singlet A1 to the next excited doublet E of Tm3+ ions. Unexpected fine structure of the transitions is detected at low temperatures. The new modes are assigned to local distortions of the sites with D3 symmetry by Bi3+ impurities, which resulted in the splitting of the A1→E transition. Two types of locally distorted sites are identified and investigated. The main contribution to the static magnetic susceptibility is shown to be determined by the matrix elements of the observed magnetic transitions. We demonstrate that even in case of local distortions the symmetry of the undistorted crystal is recovered for magnetic and for quadratic magnetoelectric susceptibilities.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkov N. V., Solovyev L. A., Eremin E. V., Sablina K. A., Misjul S. V., Molokeev M. S., Zaitsev A. I., Gorev M. V., Bovina A. F., Mikhashenok N. V.
Заглавие : Temperature-dependent features of Pb3Mn7O15 crystal structure
Место публикации : Physica B: Elsevier Science BV, 2012. - Vol. 407, Is. 4. - P.689-693. - ISSN 0921-4526, DOI 10.1016/j.physb.2011.11.058
Примечания : Cited References: 23. - This study was supported by the Russian Foundation for Basic Research 'Siberia', Project no. 09-02-98003, and the Siberian Branch of the Russian Academy of Sciences, integration Project no. 101. This work was partially supported by the Russian Ministry of Education and Science Federal Program Grant P2430.
Предметные рубрики: PROFILE REFINEMENT
PHASE-TRANSITIONS
Ключевые слова (''Своб.индексиров.''): manganese--layered compounds--x-ray diffraction
Аннотация: The results of X-ray diffraction (XRD) structural investigations of Pb3Mn7O15 crystals carried out for a wide temperature range including the room temperature are presented. It has been observed for the first time that with increasing temperature the Pb3Mn7O15 crystals transform from the orthorhombic (Pnma space group) to the hexagonal (P6(3)/mcm space group) structure. The results of the thermal analysis have revealed two sharp peaks in the temperature dependence correlating with the XRD data. According to the results of the group-theoretical analysis, the Pb3Mn7O15 symmetry transformation can be described as P6(3)/mcm M-2(-)(12-4)(eta,0,0) over right arrow Pnma. (C) 2011 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Molokeev M. S., Yurkin G. Yu., Gavrilova T. A., Kesler V. G., Laptash N. M., Flerov I. N., Patrin G. S.
Заглавие : Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2012. - Vol. 116, Is. 18. - P.10162-10170. - ISSN 1932-7447, DOI 10.1021/jp302020f
Примечания : Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28).
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
PHASE-TRANSITIONS
CORE LEVELS
SURFACE CHARACTERIZATION
CRYSTAL-STRUCTURE
CLEAVED SURFACE
MIXED-VALENCE
OXIDES
MN
MOLYBDENUM
Chemical bondings
Cubic phase
Energy differences
Heat capacity measurements
Oxyfluorides
Powder samples
Solid-state synthesis
Space Groups
Temperature range
Valence electron
Binding energy
Chemical bonds
Electronic structure
Fluorine compounds
Magnetic properties
Metal ions
Photoelectrons
Rietveld method
X ray photoelectron spectroscopy
Electronic properties
Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Isaenko L. I., Kesler V. G., Molokeev M. S., Zhurkov S. A.
Заглавие : Synthesis and structural properties of cubic G0-Rb2KMoO3F3 oxyfluoride
Место публикации : Ceram. Int.: Elsevier, 2012. - Vol. 38, Is. 3. - P.2455-2459. - ISSN 0272-8842, DOI 10.1016/j.ceramint.2011.11.013
Примечания : Cited References: 23. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34).
Предметные рубрики: PHASE-TRANSITIONS
FERROELECTRIC K3WO3F3
(NH4)(3)MOO3F3
TEMPERATURE
PEROVSKITE
ELPASOLITE
CRYSTALS
BEHAVIOR
High temperature
Melt solidification
Micromorphologies
Melt solidification
Microstructure-final
Oxyfluorides
Space Groups
Oxyfluorides
X ray methods
Ключевые слова (''Своб.индексиров.''): powders: solid state reaction--microstructure-final--x-ray methods--alkali oxides--halides
Аннотация: High-temperature G0 polymorph of Rb2KMoO3F3 has been prepared by melt solidification. Micromorphology and chemical properties of the final product were evaluated by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The elpasolite-related crystal structure of G0-Rb2KMoO3F3 has been refined by Rietveld method at T = 298 K (space group Fm-3m, a = 8.92446(8) Å, V = 710.76(1) Å3; RB = 3.55%). Ferroelectric G1-Rb2KMoO3F3 polymorph, earlier reported at T˂328 K, is not found at T = 298 K.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Chimitova O. D., Krylov A. S., Molokeev M. S., Bazarov B. G., Bazarova J. G., Xia, Zhiguo
Заглавие : Synthesis and spectroscopic properties of multiferroic β΄-Tb2(MoO4)3
Коллективы : International Workshop on Advanced Spectroscopy and Optical Materials (4th; 14–19 July 2013; Gdańsk, Poland)
Место публикации : Opt. Mater./ ed.: M. Grinberg, P. Bojarski, A. Suchocki: Elsevier Science, 2014. - Vol. 36, Is. 10. - P.1631–1635. - ISSN 0925-3467, DOI 10.1016/j.optmat.2013.12.008. - ISSN 1873-1252
Примечания : Cited References: 43. - This study was partly supported by SB RAS under Projects 28.13 and 24.31, and by the PSB RAS Project No. 3.9.5b, and RFBR Projects
Предметные рубрики: FERROELECTRIC-FERROELASTIC Tb2(MoO4)3
STIMULATED RAMAN-SCATTERING
TRANSITION-METAL MOLYBDATES
RARE-EARTH MOLYBDATES
CRYSTAL-STRUCTURE
VIBRATIONAL PROPERTIES
LUMINESCENCE PROPERTIES
Tb-2(MoO4)3 CRYSTALS
TERBIUM MOLYBDATE
PHASE-TRANSITIONS
Ключевые слова (''Своб.индексиров.''): terbium molybdate--raman spectrum--optical properties
Аннотация: Orthorhombic terbium molybdate, β΄-Tb2(MoO4)3, microcrystals have been fabricated by solid state synthesis at T = 750-1270 K for t = 290 h. The crystal structure β΄-Tb2(MoO4)3 has been refined by Rietveld method in space group Pba2 with cell parameters of a = 10.35387(6), b = 10.38413(6) and c = 10.65695(7) A (RB = 1.83%). About 40 narrow Raman lines have been observed in the Raman spectrum recorded for the β΄-Tb2(MoO4)3 powder sample. The luminescence spectrum of β΄-Tb2(MoO4)3 has been measured under the excitation at 355 nm, and the intensive photoluminescence band at 540-550 nm has been found. В© 2013 Elsevier Ltd. All rights reserved.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Chimitova O. D., Gavrilova T. A., Krylov A. S., Molokeev M. S., Oreshonkov A. S., Bazarov B. G., Bazarova J. G.
Заглавие : Synthesis and spectroscopic properties of monoclinic α-Eu2(MoO4)3
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Phys. Chem. C: American Chemical Society, 2014. - Vol. 118, Is. 28. - P.15404-15411. - ISSN 1932-7447, DOI 10.1021/jp5040739
Примечания : Cited References: 63. - This study is partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: RARE-EARTH MOLYBDATES
VIBRATIONAL PROPERTIES
LUMINESCENCE PROPERTIES
CRYSTAL-STRUCTURE
PHASE-TRANSITIONS
TRIPLE MOLYBDATE
SINGLE-CRYSTAL
X-RAY
PHOSPHORS
EUROPIUM
Аннотация: The microcrystals of monoclinic europium molybdate, alpha-Eu-2(MoO4)(3), have been fabricated by solid-state synthesis at T = 753-1273 K for 300 h. The crystal structure of alpha-Eu-2(MoO4)(3) has been refined by the Rietveld method and was found to belong to the space group C2/c with unit cell parameters a = 7.5576(1), b = 11.4709(2), c = 11.5158(2) angstrom, and beta = 109.278(1)degrees (R-B = 3.39%). About 40 narrow Raman lines have been observed in the Raman spectrum of the alpha-Eu-2(MoO4)(3) powder sample. The luminescence spectra of alpha-Eu-2(MoO4)(3) under excitation at 355 and 457.9 nm reveal domination of induced electric dipole transition D-5(0) - F-7(2) and the presence of ultranarrow lines at D-5(0) - F-7(0) and D-5(1) - F-7(0) transitions.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zeer E. P., Falaleev O. V., Ivanov Y. N., Petrakovskaya E. A.
Заглавие : Study of molecular mobility in ABF6-center-dot-6H2O crystal family
Место публикации : Fiz. Tverd. Tela. - 1994. - Vol. 36, Is. 8. - P.2210-2220. - ISSN 0367-3294
Примечания : Cited References: 21
Предметные рубрики: PHASE-TRANSITIONS
NMR
SYSTEM
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorev M. V., Bondarev V. S., Raevskaya S. I., Ivliev M. P., Raevskii I. P., Flerov I. N.
Заглавие : Studies of the heat capacity and thermal expansion of the Na0.95K0.05NbO3 solid solution
Коллективы : Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation [NSh-4828.2012.2]; Russian Foundation for Basic Research [12-02-31799 mol_a]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 2. - P.367-372. - ISSN 1063-7834, DOI 10.1134/S1063783414020115. - ISSN 1090-6460
Примечания : Cited References: 27. - This study was supported by 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) and the Russian Foundation for Basic Research (project no. 12-02-31799 mol_a).
Предметные рубрики: SODIUM NIOBATE
PHASE-TRANSITIONS
TEMPERATURE-RANGE
SINGLE-CRYSTALS
KNBO3
FERROELECTRICS
DIFFRACTION
OCTAHEDRA
Аннотация: The heat capacity and thermal expansion of ceramic samples of the Na0.95K0.05NbO3 solid solution have been investigated over a wide temperature range of 100-750 K. The observed anomalies in the heat capacity and thermal expansion at T (4) = 297 K, T (3) = 535 K, T (2) = 665 K, and T (1) a parts per thousand 710 K correspond to the sequences of phase transitions N - Q - G - S - T1. It has been shown that, as a result of the phase transitions, the unit cell volume at T (4) and T (2) decreases, and at T (3) and T (1), increases with increasing temperature. The directions of the shift of the phase transition temperatures induced by hydrostatic pressure have been determined. It has been established that all structural transformations are accompanied by relatively small variations in the entropy. Different mechanisms of the structural distortions have been discussed.
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14.

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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Y. V., Oreshonkov A. S., Ivanenko A. A., Molokeev M. S., Isaenko L. I., Flerov I. N., Bogdanov E. V., Gorev M. V., Kartashev A. V., Krylov A. S.
Заглавие : Structural, spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure
Коллективы : Russian Foundation for Basic Research [12-02-31205_mol_a]; Ministry of Education and Science of the Russian Federation [8379]; Siberian Branch of the Russian Academy of Sciences [28]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 3. - P.599-605. - ISSN 1063-7834, DOI 10.1134/S1063783414030135. - ISSN 1090-6460
Примечания : Cited References: 26. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31205_mol_a), the Ministry of Education and Science of the Russian Federation within the framework of the Federal Target Program "Scientific and Scientific-Pedagogical Human Resources for the Innovative Russia" (agreement no. 8379), and the Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project no. 28).
Предметные рубрики: PHASE-TRANSITIONS
CRYSTAL-STRUCTURE
STATE
Cs
Mo
Аннотация: The structure, infrared and Raman spectra, heat capacity, and thermal expansion have been investigated. It has been shown that, down to liquid-helium temperatures, the cubic pyrochlore structure of the CsMnMoO3F3 and CsZnMoO3F3 oxyfluorides remains stable. The influence of cation substitution on individual features of the properties of the oxyfluorides has been analyzed.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Isaenko L. I., Kesler V. G., Kang L., Lin Z. S., Molokeev M. S., Yelisseyev A. P., Zhurkov S. A.
Заглавие : Structural, spectroscopic, and electronic properties of cubic G0-Rb2KTiOF5 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2013. - Vol. 117, Is. 14. - P.7269-7278. - ISSN 1932-7447, DOI 10.1021/jp401391y
Примечания : Cited References: 80. - This study was supported by SB RAS (Grant 28.13), the National Natural Science Foundation of China under Grants 11174297 and 91022036, and the National Basic Research Project of China (Nos. 2010CB630701 and 2011CB922204).
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
SURFACE CHEMICAL-STABILITY
EFFECTIVE IONIC-RADII
PHASE-TRANSITIONS
CRYSTAL-GROWTH
HEAT-CAPACITY
CORE LEVELS
RB2KTIOF5
FLUORIDES
OXIDES
Аннотация: The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm (3) over barm, Z = 4, a = 8.880(1) angstrom, V = 700.16(2) angstrom(3); R-B = 2.66%). The wide optical transparency range of 0.25-9 mu m and forbidden band gap of E-g = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2- and F- ions for metal valence electrons has been found.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Kesler V. G., Molokeev M. S., Aleksandrov K. S.
Заглавие : Structural and electronic parameters of ferroelectric K3WO3F3
Коллективы :
Место публикации : Solid State Commun. - 2010. - Vol. 150, Is. 43-44. - P.2085-2088. - ISSN 0038-1098, DOI 10.1016/j.ssc.2010.09.023
Примечания : Cited References: 34. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34).
Предметные рубрики: CORE-LEVEL SPECTROSCOPY
PHASE-TRANSITIONS
RHEED ANALYSIS
SURFACE
OXYFLUORIDE
ELPASOLITE
(NH4)(2)KWO3F3
SUBSTITUTION
TEMPERATURE
DIFFRACTION
Ключевые слова (''Своб.индексиров.''): ferroelectrics--chemical synthesis--electronic structure--photoelectron spectroscopies
Аннотация: The low-temperature ferroelectric G2 polymorph of K3WO3F3 oxyfluoride is formed by chemical synthesis. The electronic parameters of G2-K3WO3F3 have been measured by X-ray photoelectron spectroscopy under excitation with Al K alpha radiation (1486.6 eV). Detailed spectra have been recorded for all element core levels and Auger lines. The chemical bonding effects in the WO3 F-3 and WO6 octahedrons are considered by using the binding energy difference Delta BE(O-W) = BE(O 1s) BE(W 4f(7/2)). (C) 2010 Elsevier Ltd. All rights reserved.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Klimin S. A., Kashchenko M. A., Bezmaternykh L. N.
Заглавие : Spin-phonon and electron-phonon interactions in multiferroic GdFe3(BO3)4 and TbFe3(BO3)4 evidenced by IR reflection spectroscopy
Коллективы : Russian Science Foundation [14-12-01033]; Swiss National Science Foundation (SNSF); Science and Technology cooperation program "Switzerland-Russia" of the University of Geneva
Место публикации : J. Low Temp. Phys.: Springer/Plenum Publishers, 2016. - Vol. 185, Is. 5-6. - P.538-543. - ISSN 0022-2291, DOI 10.1007/s10909-016-1597-6. - ISSN 1573-7357(eISSN)
Примечания : Cited References:19. - The authors thank Alexey Kuzmenko and Marina Popova for fruitful discussions. This paper was supported by the Russian Science Foundation under Grant No. 14-12-01033, by the Swiss National Science Foundation (SNSF), and by the Science and Technology cooperation program "Switzerland-Russia" of the University of Geneva.
Предметные рубрики: PHASE-TRANSITIONS
GdFe3(BO3)4
CRYSTALS
SPECTRUM
Ключевые слова (''Своб.индексиров.''): multiferroics--ir-active phonons--spin-phonon interaction--coupled--electron-phonon mode
Аннотация: We study temperature-dependent polarized reflection spectra of multiferroic GdFe3(BO3)4 and TbFe3(BO3)4 single crystals. Signatures of spin–lattice interactions in both compounds and of a formation of the electron–phonon coupled mode in TbFe3(BO3)4 are discussed.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva E. A., Flerov I. N., Kartashev A. V., Gorev M. V., Molokeev M. S., Korotkov L. N., Rysiakiewicz-Pasek E.
Заглавие : Specific heat and thermal expansion of triglycine sulfate-porous glass nanocomposites
Коллективы : Russian Foundation for Basic Research [16-32-00092 mol-a]
Место публикации : Phys. Solid State. - 2018. - Vol. 60, Is. 7. - P.1338-1343. - ISSN 1063-7834, DOI 10.1134/S1063783418070181. - ISSN 1090-6460(eISSN)
Примечания : Cited References: 27. - This study was supported by the Russian Foundation for Basic Research, project no. 16-32-00092 mol-a.
Предметные рубрики: PHASE-TRANSITIONS
DIELECTRIC-PROPERTIES
FERROELECTRIC COMPOSITES
Аннотация: The effect of restricted geometry on specific heat capacity and thermal expansion of the triglycine sulfate (TGS)–borosilicate glass composites have been studied first. A decrease in the entropy and temperature of the P21 ↔ P21/m phase transition in the TGS component with decreasing the glass matrix pore diameter at the invariable specific heat and thermal expansion coefficient has been observed. The estimates are indicative of the minor effect of internal pressure on the TGS pressure coefficient dTC/dp in the composites.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Abramova G. M., Schefer, Juerg, Aliouane N., Boehm M., Petrakovskiy G. A., Vorotynov A. M., Gorev M. V., Bovina A. F., Sokolov V. V.
Заглавие : Single-crystal and powder neutron diffraction study of the FeXMn1−XS solid solutions
Место публикации : J. Alloys Compd.: Elsevier Science, 2015. - Vol. 632. - P.563-567. - ISSN 0925, DOI 10.1016/j.jallcom.2015.01.162. - ISSN 18734669(eISSN)DOI 10.1002/chin.201522001
Примечания : Cited References:23. - This study was supported in part by the INTAS project no. 06-1000013-9002 and the CRDF-SB RAS project no. RUP1-7054-KR-11, N 16854.
Предметные рубрики: PHASE-TRANSITIONS
ALPHA-MNS
MAGNETIC STRUCTURES
HIGH-PRESSURE
FEO
Ключевые слова (''Своб.индексиров.''): magnetic semiconductors--neutron diffraction
Аннотация: The α-MnS-based FeXMn1−XS (0 < x < 0.3) solid solutions are synthesized and shown to be new Mott materials with the rock salt structure. Neutron diffraction data show that the chemical-pressure-induced Neel temperature shift from 150 (x = 0) to 200 K (x = 0.29) observed in these materials is accompanied by a decrease in the NaCl-type cubic lattice parameters. It is established that at the symmetry transformation in the compositions with x = 0.25 and 0.29 the structural transition occurs, which is followed by the magnetic transition. These features make the FeXMn1−XS solid solutions interesting for both fundamental study of the interrelation between the magnetic, electrical, and structural properties in MnO-type strongly correlated electron systems and application.
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