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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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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) : Denisov V. M., Denisova L. T., Irtyugo L. A., Patrin G. S., Volkov N. V., Chumilina L. G.
Заглавие : High-temperature heat capacity of Y2.93Ho0.07Fe5O12
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 11. - P.2205-2207. - ISSN 1063-7834, DOI 10.1134/S1063783412110078
Примечания : Cited References: 28
Предметные рубрики: PHYSICAL-PROPERTIES
SYSTEM
OXIDES
Аннотация: This paper presents data on the heat capacity of Y2.93Ho0.07Fe5O12 obtained in the temperature range 343-1000 K. A correlation between the composition of the Fe2O3-Y2O3 pseudobinary system and the specific heat capacity of oxide compounds is pointed out.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisov V. M., Denisova L. T., Irtyugo L. A., Volkov N. V., Patrin G. S., Chumilina L. G.
Заглавие : High-temperature heat capacity of copper metaborate CuB2O4
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 10. - P.2142-2144. - ISSN 1063-7834, DOI 10.1134/S1063783412100113
Примечания : Cited References: 17
Предметные рубрики: SINGLE-CRYSTALS
MAGNETIC-PROPERTIES
SYSTEM
OXIDES
Аннотация: The heat capacity of copper metaborate CuB2O4 has been measured over a wide temperature range. A correlation between the composition of the CuO-B2O3 system and the heat capacity of the oxide compounds has been found.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Ovchinnikov S. G., Orlov Yu.S., Kazak N. V., Michel C. R., Patrin G. S., Yurkin G.Yu.
Заглавие : Contribution of Co3+ ions to the high-temperature magnetic and electrical properties of GdCoO3
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 5. - P.841-849. - ISSN 1063-7761, DOI 10.1134/S106377611203003X
Примечания : Cited References: 28. - This work was supported by the Ural Branch of the Russian Academy of Sciences and Siberian Branch of the Russian Academy of Sciences (project no. 40), the Russian Foundation for Basic Research (project nos. 09-02-00171-a, 10-02-00251), program 2.3 of the Department of Physical Sciences of Russian Academy of Sciences, and Nonprofit Dinastiya Foundation.
Предметные рубрики: SPIN-STATE
RCOO3 R
TRANSITIONS
COBALTITES
LACOO3
OXIDES
SM
EU
ND
Аннотация: The temperature dependence of the static magnetization of polycrystalline rare-earth cobaltite GdCoO3 is measured in the temperature range 2-800 K. The magnetic behaviors of GdCoO3 and Gd3+ are found to be different at temperatures above room temperature, which is caused by the appearance of a contribution from Co3+ ions at high temperatures. The temperature dependence of the magnetic susceptibility of GdCoO3 is determined by the magnetization of rare-earth gadolinium ions and the additional paramagnetic contribution induced by the thermally excited magnetic terms of Co3+ ions. The LDA + GTB method is used to calculate the electronic structure of GdCoO3 in the temperature range 0-300 K with allowance for strong electron correlations. The energy spectrum of GdCoO3 is found to have intragap states that decrease the dielectric gap width with increasing temperature.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vereshchagin S. N., Solovyov L. A., Rabchevskii E. V., Dudnikov V. A., Ovchinnikov S. G., Anshits A. G.
Заглавие : Methane oxidation over A-site ordered and disordered Sr0.8Gd0.2CoO3−δ perovskites
Коллективы : SB RAS project [38]; RFBR [13-02-00358]
Место публикации : Chem. Commun.: Royal Society of Chemistry, 2014. - Vol. 50, Is. 46. - P.6112-6115. - ISSN 1359-7345, DOI 10.1039/c4cc00913d. - ISSN 1364-548X
Примечания : Cited References: 20. - The authors acknowledge the financial support from SB RAS project N 38 (2012) and RFBR grant 13-02-00358.
Предметные рубрики: MEMBRANE REACTORS
OXYGEN
OXIDES
PERFORMANCE
COMBUSTION
FEATURES
PHASES
Аннотация: A tetragonal phase Sr0.8Gd0.2CoO3−δ with ordered Gd3+/Sr2+ ions and oxygen vacancy sites is found to be about five times less active in the reaction of methane combustion than a quenched cubic perovskite phase with randomly distributed (disordered) Gd3+/Sr2+ ions over the A-sites of the crystal lattice.
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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) : Kim J., Struzhkin V. V., Ovchinnikov S. G., Orlov Yu. S., Shvyd'ko Y., Upton M. H., Casa D., Gavriliuk A. G., Sinogeikin S. V.
Заглавие : Pressure-induced spin transition and evolution of the electronic excitations of FeBO3: Resonant inelastic x-ray scattering results
Коллективы : DOE [DE-FG02-02ER45955]; U.S. DOE [DE-AC02-06CH11357]; President of Russia Grants [NSh-1044.2012.2, MK-1168.2012.2]; Presidium of the Russian Academy of Sciences Program 2, RFFI [12-02-90410, 12-02-31543]; Siberian Federal University Grant [F11]; Russian Foundation for Basic Research grants from RAS programs [14-0200483, 15-02-03770]; FCP [GK-P891]
Место публикации : Europhys. Lett. - 2014. - Vol. 108, Is. 3. - Ст.37001. - ISSN 0295-5075, DOI 10.1209/0295-5075/108/37001. - ISSN 1286-4854
Примечания : Cited References: 47. - High-pressure work was supported by DOE under Contract No. DE-FG02-02ER45955. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. SGO and YuO acknowledge the President of Russia Grants NSh-1044.2012.2 and MK-1168.2012.2, the Presidium of the Russian Academy of Sciences Program 2, RFFI Grants 12-02-90410 and 12-02-31543, FCP GK-P891, and the Siberian Federal University Grant F11. AGG acknowledges support from the Russian Foundation for Basic Research grants 14-02-00483 and 15-02-03770 from RAS programs "Strongly correlated electron systems", "Elementary particle physics, fundamental nuclear physics and nuclear technologies".
Предметные рубрики: LOWER-MANTLE
SPECTRA
STATE
EMISSION
COLLAPSE
SYSTEMS
OXIDES
METAL
Аннотация: A high-pressure resonant inelastic x-ray scattering (RIXS) of FeBO3 at the Fe K pre-edge has been carried out to study the evolution of electronic excitations through the pressure-induced spin transition. Systematic peak shifts with insignificant peak width change are observed with increasing pressure in the high-spin state. An electronic transition occurs in tandem with the high-spin to low-spin transition, observed as the emergence of multiple new low-energy peaks in the spectra. The energy gap is reduced due to these low-energy peaks, not a peak width broadening. The observed electronic excitations are associated with dd excitations, which are calculated using a full-multiplet theory. We consider changes in crystal-field splitting and covalency to explain the observed peak shifts in the high-spin state. The new peaks that emerge upon the high- to low-spin transition are compared with dd excitations for the low-spin configuration. Copyright (C) EPLA, 2014
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Beznosikov B. V., Aleksandrov K. S.
Заглавие : Perovskite-like crystals of the Ruddlesden-Popper series
Место публикации : Crystallogr. Rep.: MAIK Nauka-Interperiodica / Springer, 2000. - Vol. 45, Is. 5. - P.792-798. - ISSN 1063-7745, DOI 10.1134/1.1312923
Примечания : Cited References: 28
Предметные рубрики: CUPRATE
OXIDES
Аннотация: The layer perovskite-like structures of the so-called Ruddlesden-Popper phases have been analyzed in terms of crystal chemistry. The geometrical boundaries of the existence ranges of these compounds with multilayer stacks are determined and new phases of this type are predicted. The possible variants of related structures are also considered. (C) 2000 MAIK "Nauka/Interperiodica".
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Liu C., Xia, Zhiguo, Chen M., Molokeev M. S., Liu Q.
Заглавие : Near-infrared luminescence and color tunable chromophores based on Cr3+-Doped Mullite-Type Bi2(Ga,Al)4O9 solid solutions
Место публикации : Inorg. Chem.: American Chemical Society, 2015. - Vol. 54, Is. 4. - P.1876-1882. - ISSN 0020-1669, DOI 10.1021/ic502779d
Примечания : Cited References: 26. - The present work was supported by the National Natural Science Foundations of China (Grants 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 Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306), and Fundamental Research Funds for the Central Universities (FRF-TP-14-005A1).
Предметные рубрики: PERSISTENT LUMINESCENCE
PHOSPHORS
PIGMENT
GARNET
OXIDES
FIELD
RED
Аннотация: Cr3+-activated mullite-type Bi2Ga(4-x)AlxO9 (x = 0, 1, 2, 3, and 4) solid solutions were prepared by the solid state reaction, and their spectroscopic properties were investigated in conjunction with the structural evolution. Under excitation at 610 nm, Bi2[Ga(4-y)Aly]3.97O9:0.03Cr3+ (y = 0, 1, 2, 3, and 4) phosphors exhibited broad-band near-infrared (NIR) emission peaking at ?710 nm in the range 650?850 nm, and the optimum Cr3+ concentrations and concentration quenching mechanism were determined. Except for the interesting NIR emission, the body color changed from white (at x = 0) to green (at x = 0.08) for Bi2Ga4?xO9:xCr3+, and from light yellow (at x = 0) to deep brown (at x = 0.08) for Bi2Al4?xO9:xCr3+, respectively. Moreover, as a result of variable Al/Ga ratio, the observed body color for Bi2[Ga(4-y)Aly]3.97O9:0.03Cr3+ (y = 0, 1, 2, 3, and 4) varied from deep brown to green. The relationship between the observed colors and their diffuse reflectance spectra were also studied for the understanding of the different absorption bands. The results indicated that Cr3+-doped Bi2Ga(4-x)AlxO9 solid solutions appeared as the bifunctional materials with NIR phosphors and color-tunable pigments.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Dzebisashvili D. M., Barabanov A. F.
Заглавие : Nature of Cooper instability of spin polarons in cuprate high-Tc superconductors
Коллективы : Russian Foundation for Basic Research [13-02-00523, 13-02-00909], Dynasty Foundation
Место публикации : J. Low Temp. Phys.: Springer/Plenum Publishers, 2015. - Vol. 181, Is. 3-4. - P.134-138. - ISSN 0022, DOI 10.1007/s10909-015-1331-9. - ISSN 15737357(eISSN)
Примечания : Cited References:10. - This study was supported by the Russian Foundation for Basic Research, Projects Nos. 13-02-00523, 13-02-00909 and the Dynasty Foundation.
Предметные рубрики: OXIDES
MODEL
Ключевые слова (''Своб.индексиров.''): high-t-c superconductors--spin polarons--spin-fermion model
Аннотация: It is shown that the exchange interaction in the subsystem of localized moments of copper ions can trigger a Cooper instability in the ensemble of spin-polaron quasiparticles in cuprate high-temperature superconductors. It is important that, inherent to cuprates, strong coupling between Fermi and spin degrees of freedom leads on the one hand to formation of spin-polaron quasiparticles and, on the other hand, allows to transfer the interaction between Bose degrees of freedom onto the interaction between Fermi quasiparticles. The solution of the integral equation for the d-wave superconducting order parameter is well consistent with the available experimental data.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vereshchagin S. N., Solov'ev L. A., Rabchevskii E. V., Dudnikov V. A., Ovchinnikov S. G., Anshits A. G.
Заглавие : New method for regulating the activity of ABO3 perovskite catalysts
Коллективы : Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]
Место публикации : Kinet. Catal.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 56, Is. 5. - P.640-645. - ISSN 0023, DOI 10.1134/S0023158415040199. - ISSN 16083210(eISSN)
Примечания : Cited References:23. - This work was supported in part by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (grant no. NSh-2886.2014.2).
Предметные рубрики: MEMBRANE REACTORS
METHANE COMBUSTION
OXIDATION
OXIDES
OXYGEN
PERFORMANCE
FEATURES
PHASES
CO
Ключевые слова (''Своб.индексиров.''): perovskite--cobalt--methane--deep oxidation--oxidative condensation
Аннотация: A new possibility of changing the activity and selectivity of perovskite catalysts in the oxidative conversion of methane was demonstrated using the Sr x Gd1–x CoO3–δ (0.5 x 0.9) compounds as an example. It was established that, at the same chemical composition, the disordering of Sr2+/Gd3+ ions over the A positions of the crystal structure led to a significant increase in activity in the deep oxidation reaction of CH4, as compared with the samples with an ordered distribution of cations.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ma L., Xia Z., Atuchin V. V., Molokeev M. S., Auluck S., Reshak A. H., Liu Q.
Заглавие : Engineering oxygen vacancies towards self-activated BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials: An experimental and theoretical analysis
Место публикации : Phys. Chem. Chem. Phys.: Royal Society of Chemistry, 2015. - Vol. 17, Is. 46. - P.31188-31194. - ISSN 14639076 (ISSN), DOI 10.1039/c5cp05130d
Примечания : Cited References: 28. - The present work was supported by the National Natural Science Foundations of China (Grant No. 51572023, 51272242 and 51511130035), and Fundamental Research Funds for the Central Universities (FRF-TP-15-005A1). The author A. H. Reshak 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 programme 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. SA would like to thank CSIR-NPL and Physics Department IIT Delhi for financial support. This work was partly supported by the Russian Foundation for Basic Research (Grant No. 15-52-53080 GFEN_a). VVA was partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: PHOSPHOR
LUMINESCENCE
EVOLUTION
OXIDES
IONS
Аннотация: Novel self-activated yellow-emitting BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials were investigated by a combined experimental and theoretical analysis. The effects of Al/Zn composition modulation, calcination atmosphere and temperature on the crystal structure and photoluminescence properties have been studied via engineering oxygen vacancies. Accordingly, BaLuAl0.91Zn3.09O7 prepared in an air atmosphere was found to be the stable crystalline phase with optimal oxygen content and gave a broad yellow emission band with a maximum at 528 nm. The self-activated luminescence mechanism is ascribed to the O-vacancies based on the density functional theory (DFT) calculation. A theoretical model originating from the designed oxygen vacancies has been proposed in order to determine the influence of O-vacancies on the band structure and self-activated luminescence. Therefore, the appearance of a new local energy level in the band gap will cause the wide-band optical transitions in the studied BaLuAlxZn4-xO7-(1-x)/2 materials.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarakina N. V., Tyutyunnik A. P., Bazuev G. V., Vasiliev A. D., Berger I. F., Gould C., Nikolaenko I. V.
Заглавие : New hexagonal perovskite with Mn4+ and Mn5+ at distinct structural positions
Коллективы : Electron Microscopy and Analysis Group Conference
Место публикации : J. Phys.: Conf. Ser./ Electron Microscopy and Analysis Group Conference (2015 ; Jun 02-Jul 02 ; Manchester, England): IOP Publishing, 2015. - Vol. 644. - Ст.UNSP 012004. - ISSN 1742-6588, DOI 10.1088/1742-6596/644/1/012004
Примечания : Cited References:13
Предметные рубрики: MAGNETIC-PROPERTIES
OXIDES
PHASES
Аннотация: A new hexagonal perovskite, Ba7Li1.75Mn3.5O15.75, has been synthesised using microwave-assisted solid-state synthesis. Its crystal structure has elements typical for the layered hexagonal perovskites and quasi-one-dimensional oxides, hence representing a new polytype. Structural solution based on simultaneous refinement of X-ray and neutron diffraction data shows that Ba7Li1.75Mn3.5O15.75 crystallizes in a hexagonal unit cell with parameters a = 5.66274(2) Å and c = 16.7467(1) Å ( V = 465.063(4) Å3). Columns of face- shared octahedra occupied by Mn4+, Li+ cations and vacancies along the c axis are separated in the ab plane by barium atoms, so that every sixth layer, the coordination of Mn5+ and Li+ changes to tetrahedral. Separation of Mn4+ and Mn5+ cations in two distinct structural positions makes the structure unique. A scanning transmission electron microscopy study revealed the formation of a rhombohedrally centered supercell, which might be attributed to the ordering of manganese and lithium atoms among cationic sites.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Chumilina L. G., Shaikhutdinov K. A., Patrin G. S., Denisov V. M.
Заглавие : Heat capacity and thermodynamic properties of HoMnO3 in the range of 364–1046 K
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 58, Is. 3. - P.481-484. - ISSN 1063-7834, DOI 10.1134/S1063783416030070. - ISSN 1090-6460(eISSN)
Примечания : Cited References:27
Предметные рубрики: High-temperature
Rare-earth
YMnO3
Oxides
System
Аннотация: The temperature dependence of the molar heat capacity of HoMnO3 has been measured by differential scanning calorimetry. The experimental data have been used to calculate the thermodynamic properties of the oxide compound (changes in the enthalpy H°(T)–H°(364 K), entropy S°(T)–S°(364 K), and reduced Gibbs energy Φ°(T)). The data on the heat capacity of HoMnO3 have been generalized in the range of 40–1000 K.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S., Kuzubov A. A., Dudnikov V. A., Sokolov A. E., Zabluda V. N., Naumov S. B., Shestakov N. P.
Заглавие : Giant red shift of the absorption spectra due to nonstoichiometry in GdCoO3–δ
Коллективы : Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]; Presidium of Russian Academy of Sciences [34]; Russian Foundation for Basic Research [16-02-00507, 16-02-00273, 16-02-00098, 14-02-00186]; Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF) [05K12GU2]
Место публикации : JETP Letters. - 2016. - Vol. 103, Is. 3. - P.161-166. - ISSN 0021-3640, DOI 10.1134/S0021364016030115. - ISSN 1090-6487(eISSN)
Примечания : Cited References:40. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-2886.2014.2), by the Presidium of Russian Academy of Sciences (Program 34), by the Russian Foundation for Basic Research (project nos. 16-02-00507, 16-02-00273, 16-02-00098, and 14-02-00186), and by Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF, grant no. 05K12GU2).
Предметные рубрики: TRANSITION-METAL COMPOUNDS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
ELECTRONIC-STRUCTURE
MAGNETIC-PROPERTIES
SPIN TRANSITION
BAND-GAPS
BASIS-SET
LaCoO3
OXIDES
Аннотация: The GdCoO3–δ perovskite is a semiconductor with the energy gap Eg ≈ 0.5 eV from electrical transport measurements. It reveals unusual optical absorption spectra without transparency window expected for semiconductors. Instead we have measured the narrow transmittance peak at the photon energy ε0 = 0.087 eV. To reconcile the transport and optical data we have studied the effect of oxygen vacancies on the electronic structure of the GdCoO3–δ. We have found that oxygen vacancies result in the in-gap states inside the charge-transfer energy gap of the GdCoO3. It is a multielectron effect due to strong electron correlations forming the electronic structure of the GdCoO3–δ. These in-gap states decrease the transparency window and result in a narrow absorption minimum. The predicted temperature dependence of the absorption spectra has been confirmed by our measurements.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Korovushkin M. M.
Заглавие : Renormalization of Energy Structure and Oscillation Period in the de Haas-van Alphen Effect at the Strong Intersite Coulomb Interaction
Разночтения заглавия :авие SCOPUS: Renormalization of energy structure and oscillation period in the de Haas-van Alphen effect at the strong intersite Coulomb interaction
Место публикации : J. Phys. Soc. Jpn.: PHYSICAL SOC JAPAN, 2011. - Vol. 80, Is. 1. - Ст.14703. - С. P. - ISSN 0031-9015, DOI 10.1143/JPSJ.80.014703
Примечания : Cited References: 36. - This study was supported by the program "Quantum Physics of Condensed Matter'' of the Presidium of the Russian Academy of Sciences (RAS), the Russian Foundation for Basic Research (project No. 10-02-00251), the Federal goal-oriented program Scientific Brainpower of the Russian Innovations 2009-2013, and the Siberian Division of RAS (Interdisciplinary Integration project No. 53). One of the authors (M. K.) would like to acknowledge the support of the Lavrentiev's Competition of the Siberian Division of RAS. The authors are grateful to the Physical Society of Japan for financial support in publication.
Предметные рубрики: T-C SUPERCONDUCTOR
EXTENDED HUBBARD-MODEL
CUPRATE SUPERCONDUCTORS
ELECTRON CORRELATIONS
QUANTUM OSCILLATIONS
FERMI-SURFACE
OXIDES
TEMPERATURE
STATE
BANDS
Ключевые слова (''Своб.индексиров.''): strongly correlated electron systems--cuprate superconductors--intersite coulomb interaction--t-v model--de haas-van alphen effect--cuprate superconductors--de haas-van alphen effect--intersite coulomb interaction--strongly correlated electron systems--t-v model
Аннотация: The effect of strong intersite Coulomb correlations on the formation of the electron structure of the t-V model has been studied. A qualitatively new result indicating the occurrence of a split-off band of Fermi states has been obtained. The spectral intensity of this band increases with an increase in doping level and is determined by the mean-square fluctuation of occupation numbers. This results in the transformation of the energy structure and the integrated density of states and in a further decrease in state occupation in the quasimomentum space near the Fermi level as compared with Hubbard renormalization. It has been shown that this effect leads to an increase in the area of the quasimomentum space part limited by the Fermi contour and is important for the analysis of the de Haas-van Alphen oscillations in cuprate superconductors.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Zakharova E. V., Nekrasov I. A., Pchelkina Z. V., Ovchinnikov S. G.
Заглавие : The Fermi surface and the role of electronic correlations in Sm2-xCexCuO4
Коллективы :
Разночтения заглавия :авие SCOPUS: The Fermi surface and the role of electronic correlations in Sm 2-xCexCuO4
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2010. - Vol. 22, Is. 1. - Ст.15701. - ISSN 0953-8984, DOI 10.1088/0953-8984/22/1/015701
Примечания : Cited References: 35. - We would like to thank A A Kordyuk and I Eremin for useful discussions. The authors acknowledge support from RFBR (grants 08-02-00021, 10-02-00662, 08-02-91200 and 07-02-00226), the RAS programs on 'Low temperature quantum phenomena', 'Quantum physics of condensed matter' and 'Strongly correlated electrons solids', President of Russia (grants MK-614.2009.2 (IN) and MK-3227.2008.2 (ZP)), Scientific School (grant SS-1929.2008.2), Interdisciplinary UB-SB RAS project, Dynasty Foundation (ZP) and Russian Science Support Foundation (IN).
Предметные рубрики: T-C SUPERCONDUCTOR
IN-GAP STATES
SPIN CORRELATIONS
BAND
LA2-XSRXCUO4
EXCITATIONS
TRANSITION
EVOLUTION
SM2CUO4
OXIDES
Ключевые слова (''Своб.индексиров.''): antiferromagnetics--doping evolution--electron-doped--electronic correlation--emery model--experimental data--generalized tight bindings--high-t--hybrid scheme--magnetic orders--spin-liquid--tight binding model--two-regime--antiferromagnetism--cerium--cerium compounds--copper oxides--corundum--doping (additives)--fermi surface--fermions--tin--surfaces
Аннотация: Using a LDA + GTB (local density approximation + generalized tight-binding) hybrid scheme we investigate the band structure of the electron-doped high-T-c material Sm2-xCexCuO4. Parameters of the minimal tight-binding model for this system (the so-called three-band Emery model) were obtained within the NMTO (Nth-order muffin-tin orbital) method. The doping evolution of the dispersion and the Fermi surface in the presence of electronic correlations was investigated in two regimes of magnetic order: short-range (spin-liquid) and long-range (antiferromagnetic metal). Each regime is characterized by the specific topologies of the Fermi surfaces and we discuss their relation to recent experimental data.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Abramova G. M., Petrakovskii G. A., Bayukov O. A., Varnek V. A., Sokolov V. V., Bovina A. F.
Заглавие : Mossbauer studies of FexMn1-xS single crystals
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 50, Is. 2. - P237-240. - ISSN 1063-7834, DOI 10.1134/S1063783408020042
Примечания : Cited References: 16
Предметные рубрики: METAL-INSULATOR-TRANSITION
MAGNETIC-PROPERTIES
ALPHA-MNS
SULFIDES
MAGNETORESISTANCE
PRESSURE
SYSTEM
OXIDES
Аннотация: Single crystals of iron manganese sulfides FexMn1-xS (0.25
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Shneider E. I.
Заглавие : Effective Hamiltonian for HTSC cuprates taking into account electron-phonon interaction in the strong-correlation regime
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2005. - Vol. 101, Is. 5. - P844-855. - ISSN 1063-7761, DOI 10.1134/1.2149064
Примечания : Cited References: 38. - This work was supported by the Russian Foundation for Basic Research (project no. 03-02-16124), the program “Quantum Macrophysics” of the Presidium of the Russian Academy of Sciences, the Foundation in Support for Russian Science, the Foundation of Noncommercial
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTORS
D-WAVE SUPERCONDUCTIVITY
T-C
DISPERSION
SCATTERING
OXIDES
STATE
MODEL
Ключевые слова (''Своб.индексиров.''): electron beams--electronic structure--optimization--phonons--electron correlations--hubbard x operators--spin-photon interaction--hamiltonians
Аннотация: Electron-phonon interaction is sequentially derived from a realistic p-d multiband model for the cuprates under conditions of strong electron correlations. The electronic structure is described using the representation of the Hubbard X operators in a generalized tight-binding method. Dependences of the diagonal and off-diagonal (on lattice sites) matrix elements of electron-phonon interaction on the wavevectors are found for three phonon modes, namely, breathing, apical breathing, and bending modes. The interactions of the breathing and bending modes with electrons are shown to contribute to the formation of kinks in the (0; 0)-(pi; pi) and (0; 0)-(pi; 0) directions, respectively. A low-energy t-J* model with phonons is developed; apart from electron-phonon interaction, it also includes spin-phonon interaction. The elimination of phonons gives an effective electron-electron interaction that depends on the occupation number of a multielectron term and on the carrier concentration due to strong electron correlations. (c) 2005 Pleiades Publishing, Inc.
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