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Каталог книг и брошюр библиотеки ИФ СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Sakai, Seiji, Ohtomo, Manabu, Entani, Shiro, Matsumoto, Yoshihiro, Naramoto, Hiroshi, Eleseeva N. S.
Заглавие : Contact-induced spin polarization in graphene/h-BN/Ni nanocomposites
Место публикации : J. Appl. Phys.: American Institute of Physics, 2012. - Vol. 112, Is. 11. - Ст.114303. - P. - ISSN 0021-8979, DOI 10.1063/1.4767134
Примечания : Cited References: 47. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. The authors are grateful to the ICS SB RAS and SFU CC (Krasnoyarsk), ISC RAS and MSU CRC, (SKIF MSU "Chebyshev", Moscow) for computer resources. This work was partially supported by the RFBR grant 12-02-31417.
Предметные рубрики: HEXAGONAL BORON-NITRIDE
TRILAYER GRAPHENE
NI(111) SURFACE
GRAPHITE
APPROXIMATION
SPINTRONICS
DIFFRACTION
SIMULATION
SUBSTRATE
CARBON
Аннотация: Atomic and electronic structure of graphene/Ni(111), h-BN/Ni(111) and graphene/h-BN/Ni(111) nanocomposites with different numbers of graphene and h-BN layers and in different mutual arrangements of graphene/Ni and h-BN/Ni at the interfaces was studied using LDA/PBC/PW technique. Using the same technique corresponding graphene, h-BN and graphene/h-BN structures without the Ni plate were calculated for the sake of comparison. It was suggested that C-top:C-fcc and N-top:B-fcc configurations are energetically favorable for the graphene/Ni and h-BN/Ni interfaces, respectively. The Ni plate was found to induce a significant degree of spin polarization in graphene and h-BN through exchange interactions of the electronic states located on different fragments. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4767134]
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Krylova S. N., Laptash N. M., Vtyurin A. N.
Заглавие : Raman scattering study of temperature induced phase transitions in crystalline ammonium heptafluorozirconate, (NH4)3ZrF7
Место публикации : Vib. Spectrosc.: Elsevier Science BV, 2012. - Vol. 62. - P.258-263. - ISSN 0924-2031, DOI 10.1016/j.vibspec.2012.07.003
Примечания : Cited References: 31. - This work was partly supported by integration project SB RAS No 28, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 12-02-00056, SS-4828.2012.2. The authors are grateful to Dr. I.N. Flerov for helpful discussions. The assistance of Dr. S. Skokov is sincerely appreciated.
Предметные рубрики: VIBRATIONAL-SPECTRA
X-RAY
DISORDER
DIFFRACTION
ELPASOLITE
SYMMETRY
RB2KSCF6
IF7
Ключевые слова (''Своб.индексиров.''): raman spectroscopy--phase transition--ammonium heptafluorozirconate--low temperature
Аннотация: This paper reports on a Raman spectroscopy investigation of phase transitions in (NH4)3ZrF7 crystal. Raman spectra were obtained and analyzed in a wavenumber range from 3800 to 15 cm−1 and in the temperature range from 7 to 360 K. The anomalies caused by a series of subsequent structural phase transitions have been analyzed. A soft phonon mode restoring in the distorted phase was found. The spectral changes observed in the current study are similar to those typically found in phase transitions near a tricritical point. The spectral changes in the middle wavenumber range, 700–150 cm−1, indicate that the phase transitions are due to structural ordering of pentagonal ZrF73− bipyramids. Spectral data also show that a phase transition near 225 K is accompanied by an increase of the unit cell volume. In addition, spectral changes in the range of internal vibrations of ammonium ions indicate that the ion's motion slows down with decrease of temperature.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Likhacheva A. Y., Goryainov S. V., Krylov A. S., Bul'bak T. A., Prasad PSR
Заглавие : Raman spectroscopy of natural cordierite at high water pressure up to 5?GPa
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2012. - Vol. 43, Is. 4. - P.559-563. - ISSN 0377-0486, DOI 10.1002/jrs.3060
Примечания : Cited References: 38. - We greatly appreciate the critical comments of Prof. R. Kaindl and an anonymous reviewer on this work, and we thank Dr G. Lepezin for providing the cordierite sample. This work was supported by RFBR grant 11-05-01121-a.
Предметные рубрики: SINGLE-CRYSTAL STRUCTURE
X-RAY
CHANNEL H2O
BEHAVIOR
SPECTRA
CO2
POLYMORPHISM
DIFFRACTION
CHEMISTRY
CAVITIES
Ключевые слова (''Своб.индексиров.''): cordierite--raman spectroscopy--high pressure--phase transition
Аннотация: The high-pressure behaviour of cordierite, a widespread ring aluminosilicate with channels incorporating fluid compounds (H2O, CO2), is characterized by the absence of phase transitions up to 2.5 GPa. However, the distortion of the ring tetrahedra observed previously at 2.3 GPa is supposed to introduce a phase transition at higher pressure, which has not been checked so far. This work presents a high-pressure Raman spectroscopic study of natural cordierite compressed in water medium up to 4.7 GPa in a diamond anvil cell. At P 4 GPa, a disordering of both the framework and intrachannel H2O subsystem is apparent from significant broadening of Raman peaks and the evolution of short-range order parameters. This is followed by abrupt shifts of the framework and O–H stretching modes at about 4.5 GPa, indicating a first-order phase transition. Its reversibility is seen from the recovery of the initial spectrum at P 3 GPa. The shift amplitudes of different framework modes indicate the predominance of distortion over contraction of the framework polyhedra upon this transition. The disordering of the H2O subsystem in the high-pressure phase is likely a consequence of distortion of the channel-forming framework elements, which is supposed to be a driving force of this transition. Copyright © 2011 John Wiley & Sons, Ltd.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Litasov K. D., Shatskiy A. F., Ovchinnikov S. G., Popov Z. I., Ponomarev D. S., Ohtani E.
Заглавие : Phase transformations of Fe3N-Fe4N iron nitrides at pressures up to 30 GPa studied by in situ X-ray diffractometry
Коллективы : Ministry of Education and Science of the Russian Federation [14.B37.21.1261, 14.B25.31.0032]; Siberian Branch, Russian Academy of Sciences [97]
Место публикации : JETP Letters. - 2014. - Vol. 98, Is. 12. - P.805-808. - ISSN 0021-3640, DOI 10.1134/S0021364013250140. - ISSN 1090-6487
Примечания : Cited References: 23. - This work was supported by the Ministry of Education and Science of the Russian Federation (project nos. 14.B37.21.1261 and 14.B25.31.0032) and, in part, by the Siberian Branch, Russian Academy of Sciences (integration project no. 97 for 2012-2014). The experiments were performed in cooperation between the Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, and Tohoku University (Global Center of Excellence program "Advanced Science and Technology Center for the Dynamic Earth").
Предметные рубрики: EQUATION-OF-STATE
MAGNETIC-PROPERTIES
EPSILON-Fe3N1+X
1ST-PRINCIPLES
DIFFRACTION
GAMMA-Fe4N
TRANSITION
Fe4N
Аннотация: The parameters of the equation of state of the stable epsilon-Fe3Nx (where x = 0.8) nitride in the Fe-N system have been determined at pressures up to 30 GPa and temperatures up to 1273 K. The parameters V-0 = 81.48(2) angstrom(3), K-T = 162(3) GPa, K-T = 4.0 = 1.66(2), gamma(0) = 555 K, and q = 1 have been determined for epsilon-Fe3N0.8 by the approximation of the P V T data with the Vinet equation of state and the thermal parameters within the formalism. No anomalous change in the volume of the cell owing to possible magnetic transitions has been revealed. The instability of Fe4N at high pressures and Fe3N in the presence of a deficit of nitrogen in the system has been established. The stable phase in the temperature range of 300-673 K and the pressure range of 20-30 GPa is epsilon-Fe3N rather than epsilon-Fe3N0.8.
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mel'nikova S. V., Pogoreltsev E. I., Flerov I. N., Laptash N. M.
Заглавие : Unusual sequence of phase transitions in (NH4)3TiF7 detected by optic and calorimetric studies
Коллективы : Russian Foundation for Basic Research [12-02-00056]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
Место публикации : J. Fluor. Chem.: Elsevier Science, 2014. - Vol. 165. - P.14-19. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2014.05.016. - ISSN 1873-3328
Примечания : Cited References: 13. - This work was supported by Russian Foundation for Basic Research (Grant no. 12-02-00056), and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (Grant no. NSh-924.2014.2).
Предметные рубрики: CRYSTAL-STRUCTURE
DIFFRACTION
NH4F
Ключевые слова (''Своб.индексиров.''): cubic fluorides--phase transitions--crystal-optic--calorimetry
Аннотация: For the first time structural transformations were observed for one of the compounds belonging to the family of double salt fluorides A3MeF7 = A2MeF6·AF. Single crystals of (NH4)3TiF7 = (NH4)2TiF6·NH4F were grown by evaporation of the aqueous solution. Polarizing optical observations, heat capacity and birefringence Δn = (no − ne) measurements were performed in a wide temperature range 100–400 K. Two reversible, first order structural phase transitions were found to be followed by an unusual sequence of symmetry changes: cubic (G3) (T2↓ = 287.5 K; T2↑ = 291–310 K) ↔ P4/mnc (G2) (T1↓ = 358.5 K; T1↑ = 360 K) ↔ 4/m (G1). The twin structures observed were described assuming the existence of cubic parent phase G0 with P m 3 ¯ m symmetry.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Troyanchuk I. O., Bushinsky M. V., Sikolenko V., Efimov V., Volkov N. V., Tobbens D. M., Ritter C., Raveau B.
Заглавие : Ferromagnetism in single-valent manganites
Место публикации : J. Alloys Compd.: Elsevier Science, 2015. - Vol. 619. - P.719-725. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2014.08.236. - ISSN 1873-4669
Примечания : Cited References: 46. - The authors would like to thank J.B. Goodenough for the fruitful discussion. This work has been supported by Belarusian Republican Foundation for Fundamental Research (Grant F14R-040).
Предметные рубрики: PHASE-SEPARATION
DOPED MANGANITES
DOUBLE EXCHANGE
DIFFRACTION
OXIDES
NMR
Ключевые слова (''Своб.индексиров.''): magnetically ordered materials--solid state reactions--exchange and superexchange--magnetic measurements--neutron diffraction
Аннотация: Structural and magnetization measurements have been performed on the La0.7Sr0.3Mn0.85 Nb 0.15 - x 5 + Mg x 2 + O3 stoichiometric compounds. With rise of the Mg2+ content the formal oxidation state manganese increases from +3 ( x = 0 ) up to +3.55 ( x = 0.15 ) . The compositions with 0 ⩽ x ≤ 0.08 undergo a structural transition from rhombohedral to orthorhombic symmetry below room temperature whereas x = 0.1 and x = 0.15 compounds are rhombohedral down to 2 K. The structural parameters evidence that the orthorhombic phase is not long-range orbitally ordered and that the structural transition is associated with a steric effect. The Mg-free compound is ferromagnetic with the Curie point of around 150 K and a magnetic moment of 3.1 μ B /Mn. The substitution of Nb5+ with Mg2+ leads to a gradual weakening of the ferromagnetic component while in the x = 0.15 compound A-type antiferromagnetic short-range order is stabilized in spite of macroscopic R 3 ¯ c symmetry. All the compositions show insulating behavior. It is suggested that ferromagnetism is originated from superexchange interactions via oxygen. Covalence enhances the positive part of the superexchange interactions whereas structural disorder induced by Nb5+ and Mg2+ ions leads to suppression of ferromagnetism.
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin, Sergey N., Sterkhova I. V., Atuchin V. V.
Заглавие : The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2015. - Vol. 85. - P.493-498. - ISSN 0277-5387, DOI 10.1016/j.poly.2014.09.011
Примечания : Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
HYDROGEN-BOND
DIFFRACTION
THIOBARBITURATE
CHEMISTRY
NETWORKS
SPECTRA
SERIES
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkali ions--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I.
Заглавие : The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 41, Is. 5. - P.300-304. - ISSN 1070, DOI 10.1134/S1070328415050012. - ISSN 16083318(eISSN)
Примечания : Cited References:25
Предметные рубрики: HYDROGEN-BOND
COMPLEXES
ACID
2-THIOBARBITURATE
DIFFRACTION
SERIES
Аннотация: The complex [Pb2(DETBA)4] n (I), where HDETBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S), was obtained and structurally characterized by X-ray diffraction (CIF file CCDC no. 1031501). The crystals of complex I are trigonal: a = 12.9503(3), c = 32.077(1) Å, V = 4658.9(3) Å3, space group R3¯ , Z = 9. One of the crystallographically independent lead ions, Pb(1)2+, is coordinated in an octahedral fashion by six DETBA− ions through the O atoms. The other ion, Pb(2)2+, is coordinated to six DETBA− ions through three O atoms and three S atoms making up a trigonal prism. The polyhedra Pb(1)O6 and Pb(2)O6 are united through bridging DETBA− ions into infinite layers. The ligands are linked by neither intermolecular hydrogen bonds nor π-π interactions.
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