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Spin-glass state in CuGa2O4 / G. A. Petrakovskii [et al.] // Phys. Rev. B. - 2001. - Vol. 63, Is. 18. - Ст. 184425, DOI 10.1103/PhysRevB.63.184425. - Cited References: 28 . - ISSN 0163-1829

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION
Кл.слова (ненормированные):
copper -- gallium -- glass -- oxygen -- acceleration -- article -- magnetism -- measurement -- molecular dynamics -- phase transition
Аннотация: Magnetic susceptibility, magnetization, specific-heat, and positive muon spin relaxation (?SR) measurements have been used to characterize the magnetic ground state of the spinel compound CuGa2O4. We observe a spin-glass transition of the S = 1/2 Cu2+ spins below Tf = 2.5 K characterized by a cusp in the susceptibility curve which is suppressed when a magnetic field is applied. We show that the magnetization of CuGa2O4 depends on the magnetic history of the sample. Well below Tf, the muon signal resembles the dynamical Kubo-Toyabe expression reflecting that the spin freezing process in CuGa2O4 results in a Gaussian distribution of the magnetic moments. By means of Monte Carlo simulations, we obtain the relevant exchange integrals between the Cu2+ spins in this compound.

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Держатели документа:
Institute of Physics, Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk, Russian Federation
Laboratory for Neutron Scattering, Paul Scherrer Institute, ETH Zurich, CH-5232 Villigen PSI, Switzerland
Laboratory for Muon-Spin Spectroscopy, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland
Instituto de Ciencia de Materiales de Aragon, CSIC-Universidad de Zaragoza, Ciudad Universitaria, 50009 Zaragoza, Spain
Kamerlingh Onnes Laboratorium, Leiden University, Netherlands

Доп.точки доступа:
Petrakovskii, G. A.; Петраковский, Герман Антонович; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Aplesnin, S. S.; Аплеснин, Сергей Степанович; Roessli, B.; Semadeni, F.; Amato, A.; Baines, C.; Bartolome, J.; Evangelisti, M.
}
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Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001) / V. A. Nasluzov [et al.] // J. Chem. Phys. - 2001. - Vol. 115, Is. 17. - P. 8157-8171, DOI 10.1063/1.1407001. - Cited References: 88 . - ISSN 0021-9606

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
TRANSITION-METAL ATOMS
   AB-INITIO
   OXIDE SURFACES
   ELECTRONIC-PROPERTIES
   ENERGY CALCULATIONS
   MOLECULAR-DYNAMICS
   MOTT-LITTLETON
   MADELUNG FIELD
   IONIC-CRYSTAL
   MGO
Кл.слова (ненормированные):
Atoms -- Binding energy -- Computer simulation -- Electron energy levels -- Electronic structure -- Magnesia -- Oxygen -- Palladium -- Polarization -- Probability density function -- Quantum theory -- Relaxation processes -- Charged defects -- Cluster embedding -- Elastic polarizable environment -- Electron affinity -- Oxygen vacancies -- Adsorption
Аннотация: Adsorption complexes of palladium atoms on F-s, F-s(+), F-s(2+), and O2- centers of MgO(001) surface have been investigated with a gradient-corrected (Becke-Perdew) density functional method applied to embedded cluster models. This study presents the first application of a self-consistent hybrid quantum mechanical/molecular mechanical embedding approach where the defect-induced distortions are treated variationally and the environment is allowed to react on perturbations of a reference configuration describing the regular surface. The cluster models are embedded in an elastic polarizable environment which is described at the atomistic level using a shell model treatment of ionic polarizabilities. The frontier region that separates the quantum mechanical cluster and the classical environment is represented by pseudopotential centers without basis functions. Accounting in this way for the relaxation of the electronic structure of the adsorption complex results in energy corrections of 1.9 and 5.3 eV for electron affinities of the charged defects F-s(+) and F-s(2+), respectively, as compared to models with a bulk-terminated geometry. The relaxation increases the stability of the adsorption complex Pd/F-s by 0.4 eV and decreases the stability of the complex Pd/F-s(2+) by 1.0 eV, but it only weakly affects the binding energy of Pd/F-s(+). The calculations provide no indication that the metal species is oxidized, not even for the most electron deficient complex Pd/F-s(2+). The binding energy of the complex Pd/O2- is calculated at -1.4 eV, that of the complex Pd/F-s(2+) at -1.3 eV. The complexes Pd/F-s and Pd/F-s(+) exhibit notably higher binding energies, -2.5 and -4.0 eV, respectively; in these complexes, a covalent polar adsorption bond is formed, accompanied by donation of electronic density to the Pd 5s orbital. (C) 2001 American Institute of Physics.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Tech Univ Munich, Inst Phys & Theoret Chem, D-85747 Garching, Germany
Kemerovo State Univ, Dept Phys, Kemerovo 650043, Russia
ИХХТ СО РАН
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk, Russian Federation
Institut fur Physikalische und Theoretische Chemie, Technische Universitat Munchen, 85747 Garching, Germany

Доп.точки доступа:
Nasluzov, V. A.; Rivanenkov, V. V.; Gordienko, A. B.; Neyman, K. M.; Birkenheuer, U.; Rosch, N.
}
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Strong spin triplet contribution of the first removal state in the insulating regime of Bi2Sr2Ca1-xYxCu2O8+delta / C. . Janowitz [et al.] // JETP Letters. - 2004. - Vol. 80, Is. 11. - P. 692-696, DOI 10.1134/1.1862796. - Cited References: 18 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
   APICAL OXYGEN
   MODEL
   SUPERCONDUCTIVITY
   ONSET
Аннотация: The experimental dispersion of the first removal state in the insulating Bi2Sr2Ca1 - xYxCu2O8 + delta regime is found to differ significantly from that of other parent materials: oxyclorides and La2CuO4. For Y contents of 0.92 greater than or equal to x greater than or equal to 0.55 due to nonstoichiometric effects in the Bi-O layers, the hole concentration in the CuO2 layers is almost constant and, on the contrary, the crystal lattice parameters a, b, c change very strongly. This (a, b) parameter increase and c parameter decrease results in an unconventional three peak structure at (0, 0), (pi/2, pi/2), (pi, pi) for x = 0.92. We can describe the experimental data only beyond the framework of the three-band p-d-model involving the representations of a new triplet counterpart for the Zhang-Rice singlet state. (C) 2004 MAIK "Nauka/Interperiodica".

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Держатели документа:
Humboldt Univ, Inst Phys, D-12489 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Institute of Physics, Humboldt University of Berlin, 12489 Berlin, Germany
Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Janowitz, C.; Seidel, U.; Unger, RST; Krapf, A.; Manzke, R.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems / M. M. Korshunov [et al.] // Phys. Rev. B. - 2005. - Vol. 72, Is. 16. - Ст. 165104, DOI 10.1103/PhysRevB.72.165104. - Cited References: 82 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   DENSITY-FUNCTIONAL CALCULATION
   NARROW ENERGY BANDS
   MEAN-FIELD THEORY
   COULOMB INTERACTIONS
   FERMION SYSTEMS
   COPPER OXIDES
   SUPERCONDUCTORS
   LA2-XSRXCUO4
   OXYGEN
Аннотация: A hybrid scheme for the electronic structure calculations of strongly correlated electron systems is proposed. The ab initio local density approximation calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within multiband Hubbard model is calculated by the generalized tight-binding method, which combines the exact diagonalization of the model Hamiltonian for a small cluster (unit cell) with perturbation treatment of the intercluster hopping and interactions. For undoped La2CuO4 and Nd2CuO4 this scheme results in charge transfer insulators with correct values of gaps and dispersions of bands in agreement with the angle-resolved photoemission data.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620219 Yekaterinburg GSP-170, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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Coexisting 1D and 3D magnetic interactions in the insulating copper-oxygen compound CuB2O4 / M. . Boehm [et al.] // Physica B. - 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P. 1128-1129, DOI 10.1016/j.physb.2006.01.540. - Cited References: 8 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
SPIN-WAVE SPECTRUM
PHASE 10 K
METABORATE
Кл.слова (ненормированные):
cuprates -- magnetic soliton lattice -- Heisenberg exchange -- low-dimensional excitations -- Cuprates -- Heisenberg exchange -- Low-dimensional excitations -- Magnetic soliton lattice -- Dispersions -- Insulating materials -- Magnetic properties -- Neutron scattering -- Positive ions -- Cuprates -- Heisenberg exchange -- Low-dimensional excitations -- Magnetic soliton lattice -- Copper compounds
Аннотация: We performed inelastic neutron scattering measurements on CuB2O4 with a magnetic field applied in the tetragonal basal plane. The spin dynamics in this cuprate is determined by the interplay of two magnetic Cu2+ subsystems, the magnetic cage with predominant 3d Heisenberg exchange and quasi Id zig-zag chains. The comparison of the dispersion spectra along the chain direction in zero field and under applied field suggests a decoupling of the two magnetic sublattices under field. (c) 2006 Elsevier B.V. All rights reserved.

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Держатели документа:
Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France
Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland
Russian Acad Sci, Inst Phys, SB, Krasnoyarsk 660036, Russia
ИФ СО РАН
Institut Laue Langevin, 6, rue Jules Horowitz, F-38042 Cedex 9, France
Laboratory of Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen, Switzerland
Institute of Physics, SB RAS, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Boehm, M.; Roessli, B.; Schefer, J.; Ouladdiaf, B.; Kulda, J.; Petrakovskii, G. A.; Петраковский, Герман Антонович
}
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Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO / C. . Di Valentin [et al.] // J. Chem. Phys. - 2006. - Vol. 124, Is. 4. - Ст. 44708, DOI 10.1063/1.2161190. - Cited References: 37 . - ISSN 0021-9606

РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
ELECTRONIC G-TENSORS
   CORRELATION-ENERGY
   MGO(001) SURFACE
   OXYGEN VACANCIES
   SPIN-ORBIT
   G-VALUES
   ATOMS
   APPROXIMATION
   COMPLEXES
   MOLECULES
Кл.слова (ненормированные):
Density-functional model cluster -- Single-crystalline thin films -- Spin-orbit interaction -- Anisotropy -- Paramagnetic resonance -- Single crystals -- Tensors -- Thin films -- Magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.

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Держатели документа:
ICREA, Barcelona 08010, Spain
Univ Barcelona & Parc Cientif Barcelona, Dept Quim Fis, Barcelona 08028, Spain
Univ Barcelona & Parc Cientif Barcelona, Ctr Especial Recerca Quim Teor, Barcelona 08028, Spain
Max Planck Gesell, Fritz Haber Inst, Dept Phys Chem, D-14195 Berlin, Germany
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia
Univ Milan Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
Tech Univ Munich, Dept Chem Theoret Chem, D-85747 Garching, Germany
ИХХТ СО РАН
Dipartimento di Scienza dei Materiali, Universit? degli Studi Milano-Bicocca, 20125 Milano, Italy
Institucio Catalana de Recerca i Estudis Avanats (ICREA), 08010 Barcelona, Spain
Departament de Quimica Fisisca, Centre Especial de Recerca en Quimica Teorica, Parc Cientific de Barcelona, 08028 Barcelona, Spain
Fritz-Haber Institut, Max-Planck Gesellschaft, Department of Chemical Physics, Faradayweg 4-6, D-14195 Berlin, Germany
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk, Russian Federation
Department Chemie, Theoretische Chemie, Technische Universitat Munchen, 85747 Garching, Germany

Доп.точки доступа:
Di Valentin, C.; Neyman, K. M.; Risse, T.; Sterrer, M.; Fischbach, E.; Freund, H. J.; Nasluzov, V. A.; Pacchioni, G.; Rosch, N.
}
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Lattice dynamics and ferroelectric instability in ordered and disordered PbSc1/2Ta1/2O3 and PbSc1/2Nb1/2O3 solid solutions / V. I. Zinenko [et al.] // J. Exp. Theor. Phys. - 2007. - Vol. 105, Is. 3. - P. 617-625, DOI 10.1134/S1063776107090191. - Cited References: 23 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
RELAXOR FERROELECTRICS
   PHASE-TRANSITION
   LOCAL-STRUCTURE
   PB(SC1/2NB1/2)O-3
   PEROVSKITE
   CRYSTALS
Кл.слова (ненормированные):
Dipole moment -- Lattice vibrations -- Negative ions -- Phonons -- Positive ions -- Solid solutions -- Dynamic Born charges -- Ferroelectric instabilities -- Frequency spectra -- Gordon-Kim models -- Oxygen anions -- Phonon spectra -- Ferroelectricity
Аннотация: The dynamic Born charges and the frequency spectra of lattice oscillations in the crystals of ordered and disordered PbSc1/2Ta1/2O3 (PST) and PbSc1/2Nb1/2O3 (PSN) solid solutions have been calculated within the framework of the generalized Gordon-Kim model with allowance for the dipole and quadrupole polarizabilities. The phonon spectra of both compounds contain ferroelectric soft modes. The influence of various interactions on the magnitude of dynamic charges and ferroelectric instability in PSN and PST solid solutions has been studied and it is shown that both these charges and the ferroelectric instability are determined by the competition between long-range dipole-dipole interactions and short-range dipole-charge interactions, the determining role played by the interaction of Nb (Ta) cations and oxygen anions in the Nb-O (Ta-O) bond direction.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Russian Acad Sci, PN Lebedev Phys Inst, Moscow 119991, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Lebedev Physical Institute, Russian Academy of Sciences, Moscow 119991, Russian Federation

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Maksimov, E. G.; Sofronova, S. N.; Софронова, Светлана Николаевна
}
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Evolution of the optical absorption spectra and electronic structure of the VBO3 crystal under high pressures / N. V. Kazak [et al.] // J. Exp. Theor. Phys. - 2009. - Vol. 109, Is. 3. - P. 455-465, DOI 10.1134/S1063776109090118. - 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." . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
BAND-STRUCTURE
   PHASE-TRANSITION
   FEBO3
   FE1-XVXBO3
   STATE
   MODEL
Кл.слова (ненормированные):
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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Публикация на русском языке Эволюция спектров оптического поглощения и электронной структуры в кристалле VBO[3] при воздействии высоких давлений [Текст] / Н. В. Казак [и др.] // Журн. эксперим. и теор. физ. - 2009. - Т. 136 Вып. 3. - С. 531-542

Держатели документа:
[Kazak, N. V.
Ovchinnikov, S. G.
Edel'man, I. S.
Rudenko, V. V.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Gavriliuk, A. G.
Lyubutin, I. S.] Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia
[Gavriliuk, A. G.] Russian Acad Sci, Inst High Pressure Phys, Troitsk 142190, Moscow Oblast, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow 119333, Russian Federation
Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow oblast 142190, Russian Federation
Siberian Federal University, Svobodny pr. 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Kazak, N. V.; Казак, Наталья Валерьевна; Gavriliuk, A. G.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lyubutin, I. S.; Edel'man, I. S.; Edelman, I. S.; Rudenko, V. V.; Руденко, Валерий Васильевич; 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
}
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Magnetoelastic coupling in the triangular lattice antiferromagnet CuCrS2 / JCE Rasch [et al.] // Phys. Rev. B. - 2009. - Vol. 80, Is. 10. - Ст. 104431, DOI 10.1103/PhysRevB.80.104431. - Cited References: 30. - We are grateful for support and allocated beam time at the Institut Laue-Langevin (D1A, IN3),Grenoble, France, the spallation neutron source SINQ (TriCS, DMC) and the SLS-MS beamline, both Paul Scherrer Insitut, Villigen, Switzerland. This work was supported by INTAS Grant No. 06-1000013-9002 of the Russian Academy of Science (RAS), Siberian Branch. . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
NEUTRON POWDER DIFFRACTION
   MAGNETIC-STRUCTURE
   STRUCTURAL-PROPERTIES
   PHASE-TRANSITION
   SOLID OXYGEN
   ALPHA-PHASES
   BETA-PHASES
   SELENIDES
   SULFIDES
Аннотация: CuCrS2 is a triangular lattice Heisenberg antiferromagnet with a rhombohedral crystal structure. We report on neutron and synchrotron powder diffraction results which reveal a monoclinic lattice distortion at the magnetic transition and verify a magnetoelastic coupling. CuCrS2 is therefore an interesting material to study the influence of magnetism on the relief of geometrical frustration.

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Держатели документа:
[Rasch, Julia C. E.
Boehm, Martin
Ritter, Clemens
Mutka, Hannu] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France
[Rasch, Julia C. E.
Schefer, Juerg
Keller, Lukas] ETH, Neutron Scattering Lab, CH-5232 Villigen, Switzerland
[Cervellino, Antonio] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland
[Abramova, Galina M.] SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Loeffler, Joerg F.] ETH, Dept Mat, Lab Met Phys & Technol, CH-8093 Zurich, Switzerland
ИФ СО РАН
Institut Laue-Langevin, 6 Rue Jules Horowitz, 38042 Grenoble Cedex 9, France
Laboratory for Neutron Scattering, ETH Zurich, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
L.V. Kirensky Institute of Physics, SB, RAS, Krasnoyarsk 660036, Russian Federation
Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
Laboratory of Metal Physics and Technology, Department of Materials, ETH Zurich, 8093 Zurich, Switzerland

Доп.точки доступа:
Rasch, JCE; Boehm, M.; Ritter, C.; Mutka, H.; Schefer, J.; Keller, L.; Abramova, G. M.; Абрамова, Галина Михайловна; Cervellino, A.; Loffler, J. F.; Russian Academy of Science (RAS), Siberian Branch [06-1000013-9002]
}
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10.

    Low-temperature synthesis and structural properties of ferroelectric K 3WO3F3 elpasolite / V. V. Atuchin [et al.] // Chem. Phys. Lett. - 2010. - Vol. 493, Is. 1-3. - P. 83-86, DOI 10.1016/j.cplett.2010.05.023. - Cited References: 37 . - ISSN 0009-2614
Рубрики:
PEROVSKITE-LIKE OXYFLUORIDES
   CORE-LEVEL SPECTROSCOPY
   PHASE-TRANSITIONS
   SOLID-STATE
   ELECTRON-DIFFRACTION
   DIFFUSE-SCATTERING
   RHEED ANALYSIS
   POLAR
   BEHAVIOR
   (NH4)(3)TIOF5
Кл.слова (ненормированные):
Chemical synthesis -- Elpasolite -- Ferroelectric phase transition -- Fluorine atoms -- Low temperature synthesis -- Low temperatures -- Oxyfluorides -- Partial ordering -- Room temperature -- SEM -- Space Groups -- Structure parameter -- XRD -- Chemical properties -- Ferroelectric materials -- Ferroelectricity -- Fluorine -- Oxygen -- Phase transitions -- Rietveld method -- Single crystals -- Synthesis (chemical) -- X ray photoelectron spectroscopy -- X ray powder diffraction -- Scanning electron microscopy
Аннотация: Low-temperature ferroelectric G2 polymorph of K3WO 3F3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO3F3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3), b = 8.6808(5), c = 6.1581(3), ? = 135.124(3), V = 329.46(3) 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A2BMO3F3 oxyfluorides is discussed. В© 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Nanolithography and Nanodiagnostics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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11.

Effect of cation substitution in fluorine-oxygen molybdates (NH4)(2-x) A (x) MoO2F4 / E. V. Bogdanov [et al.] // Phys. Solid State. - 2011. - Vol. 53, Is. 2. - P. 303-308, DOI 10.1134/S1063783411020065. - Cited References: 11. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (project no. NSh-1011.2008.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   CRYSTALS
   (NH4)(2)WO2F4
   DIFFRACTION
   OXYFLUORIDE
   MECHANISM
   DISORDER
Аннотация: Thermophysical and structural studies of (NH4)(2 - x) A (x) MoO2F4 (A = Cs, Rb, K) solid solutions of oxyfluorides have been performed. The character of the influence of cation substitutions on the stability of the initial phase (space group Cmcm) and on the mechanism of phase transitions has been elucidated.

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Держатели документа:
[Bogdanov, E. V.
Vasil'ev, A. D.
Flerov, I. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Vasil'ev, A. D.
Flerov, I. N.] Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660074, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, ul. Kirenskogo 28, Krasnoyarsk 660074, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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12.

Formation of ferromagnetic germanides by solid-state reactions in 20Ge/80Mn films / V. G. Myagkov [et al.] // Thin Solid Films. - 2014. - Vol. 552. - P. 86-91, DOI 10.1016/j.tsf.2013.12.029. - Cited References: 53 . - ISSN 0040-6090

РУБ Materials Science, Multidisciplinary + Materials Science, Coatings & Films + Physics, Applied + Physics, Condensed Matter
Рубрики:
PHASE-FORMATION
   MAGNETIC-PROPERTIES
   Mn5Ge3 FILMS
   X-RAY
   Ge(111)
   TRANSFORMATIONS
   DIFFUSION
   SPECTRA
   SYSTEM
   LAYERS
Кл.слова (ненормированные):
Manganite-germanium -- Solid state reaction -- First phase -- Mn5Ge3 alloy -- Carbon impurity -- Oxygen impurity -- Annealing -- Magnetic anisotropy
Аннотация: Solid state reactions between Ge and Mn films are systematically examined using X-ray diffraction, photoelectron spectroscopy, and magnetic and electrical measurements. The films have a nominal atomic ratio Ge:Mn = 20:80 and are investigated at temperatures from 50 to 500 °C. It is established that after annealing at ~ 120°C, the ferromagnetic Mn5Ge3 phase is the first phase to form at the 20Ge/80Mn interface. As the annealing temperature increases to 300°C, the weak magnetic Mn5Ge 2 + Mn3Ge phases simultaneously begin to grow and they become dominant at 400°C. Increasing the annealing temperature to 500°C leads to the formation of the ferromagnetic phase with a Curie temperature TC ~ 350-360 K and magnetization 14-25 kA/m at room temperature. The X-ray diffraction study of the samples shows the reflections from the Mn 5Ge3 phase, and the photoelectron spectra contain the oxygen and carbon peaks. The homogeneous distribution of oxygen and carbon over the sample thickness suggests that the increased Curie temperature and magnetization are related to the migration of C and O atoms into the Mn 5Ge3 lattice and the formation of the Nowotny phase Mn5Ge3CxOy. The initiation temperature (~ 120 C) is the same in the Mn5Ge3 phase with the solid-state reactions in the Ge/Mn films as well as in the phase separation in the GexMn1 - x diluted semiconductors. Thus, we conclude that the synthesis of the Mn5Ge3 phase is the moving force for the spinodal decomposition of the GexMn 1 - x diluted semiconductors.

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Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Zhigalov, V. S.; Жигалов, Виктор Степанович; Matsynin, A. A.; Мацынин, Алексей Александрович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Mikhlin, Y. L.; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Patrin, G. S.; Патрин, Геннадий Семёнович; Yurkin, G. Yu.; Юркин, Глеб Юрьевич
}
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13.

Methane oxidation over A-site ordered and disordered Sr0.8Gd0.2CoO3−δ perovskites / S. N. Vereshchagin [et al.] // Chem. Commun. - 2014. - Vol. 50, Is. 46. - P. 6112-6115, DOI 10.1039/c4cc00913d. - Cited References: 20. - The authors acknowledge the financial support from SB RAS project N 38 (2012) and RFBR grant 13-02-00358. . - ISSN 1359-7345. - ISSN 1364-548X

РУБ Chemistry, Multidisciplinary
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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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Vereshchagin, S. N.; Solovyov, L. A.; Соловьев, Леонид Александрович; Rabchevskii, E. V.; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Anshits, A. G.; Аншиц, Александр Георгиевич; SB RAS project [38]; RFBR [13-02-00358]
}
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14.

    Oxidation of Ag nanoparticles in aqueous media: Effect of particle size and capping / Y. L. Mikhlin [et al.] // Appl. Surf. Sci. - 2014. - Vol. 297. - P. 75-83, DOI 10.1016/j.apsusc.2014.01.081. - Cited References: 58. - This work was partially financially supported by the Ministry of Education and Science of RF (Grant 8580) and RFBR (12-03-31178). . - ISSN 0169-4332. - ISSN 1873-5584
   Перевод заглавия: Окисление наночастиц Ag в водной среде: Влияние размера частиц и оболочки.

РУБ Chemistry, Physical + Materials Science, Coatings & Films + Physics, Applied + Physics, Condensed Matter
Рубрики:
EX-SITU XPS
   POLYCRYSTALLINE SILVER ELECTRODES
   RAY PHOTOELECTRON-SPECTROSCOPY
   METAL NANOPARTICLES
   ELECTROCHEMICAL OXIDATION
   ABSORPTION SPECTROSCOPY
   PYROLYTIC-GRAPHITE
   OXYGEN-ADSORPTION
   TRANSFORMATIONS
   DISSOLUTION
Кл.слова (ненормированные):
Silver nanoparticles -- Oxidation -- Resistive switching effect -- X-ray photoelectron spectroscopy
Аннотация: Many applications and environmental impact of silver-bearing nanomaterials critically depend upon their specific reactivity, which is still poorly understood. Here, silver nanoparticles (Ag NPs) of about 3-5 nm and 10-12 nm in diameter, uncapped and capped with l-glucose or citrate, were prepared, characterized using UV-vis absorption spectroscopy, SAXS, TEM, and their (electro) chemical oxidation was examined in comparison with each other and bulk metal applying scanning tunneling microscopy and spectroscopy, cyclic voltammetry, and XPS. A resistive switching effect was found in the tunneling spectra measured in air at the smaller uncapped Ag NPs deposited on HOPG and was interpreted in terms of Ag transfer between the particle and the probe. The anodic oxidation of these Ag NPs in 1 M NaOH yielded 3D Ag2O, while only a layer of "primary"Ag(I) oxide emerged on larger uncapped nanoparticles during the potential sweep. The formation of AgO at higher potentials proceeded readily at the "primary"oxide but was retarded at the smaller NPs. The citrate- and glucose-capping substantially impeded the formation both of Ag2O and AgO. The findings highlighted, particularly, a non-trivial effect of particle size and transient mobilization of Ag species on the reactions of silver nanoparticles. (c) 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Mikhlin, Y. L.; Vishnyakova, E. A.; Romanchenko, A. S.; Saikova, S. V.; Сайкова, С. В.; Likhatski, M. N.; Larichev, Y. V.; Tuzikov, F. V.; Zaikovskii, V. I.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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15.

Caloric and multicaloric effects in oxygen ferroics and multiferroics / I. N. Flerov [et al.] // Phys. Solid State. - 2015. - Vol. 57, Is. 3. - P. 429-441, DOI 10.1134/S1063783415030075. - Cited References:53. - 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-924.2014.2). . - ISSN 1063. - ISSN 1090-6460. -

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   MAGNETOCALORIC MATERIALS
   ELECTROCALORIC MATERIALS
   REFRIGERATION
   CERAMICS
   OXYFLUORIDES
Аннотация: The main problems of the current state-of-the-art research into the caloric effects observed in oxygen ferroics, multiferroics, and composites, as well as the influence of different factors (anisotropy, dimensional parameters, direct and indirect interferroic interactions) on these effects, have been considered. Possible ways to increase the caloric efficiency of materials have been analyzed.

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Публикация на русском языке Калорические и мультикалорические эффекты в кислородных ферроиках и мультиферроиках [Текст] / И. Н. Флёров [и др.] // Физ. тверд. тела : Физико-технический институт им. А. Ф. Иоффе РАН, 2015. - Т. 57 Вып. 3. - С. 421-431

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Всероссийская конференция по физике сегнетоэлектриков(20 ; 2014 ; 18-22 авг. ; Красноярск)
}
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16.

The role of rocks saturated with metallic iron in the formation of ferric carbonate-silicate melts: experimental modeling under PT-conditions of lithospheric mantle / Y. V. Bataleva [et al.] // Russ. Geol. Geophys. - 2015. - Vol. 56, Is. 1-2. - P. 143-154, DOI 10.1016/j.rgg.2015.01.008. - Cited References:68. - This work was supported by Integration project 31 from the Siberian Branch of the Russian Academy of Sciences and by grant 12-05-00740 from the Russian Foundation for Basic Research. . - ISSN 1068. - ISSN 1878-030X. -

РУБ Geosciences, Multidisciplinary
Рубрики:
OXYGEN FUGACITY
   DIAMOND FORMATION
   OXIDATION-STATE
   EARTHS MANTLE
Кл.слова (ненормированные):
carbonate-silicate melt -- graphite -- CO2 fluid -- iron carbide -- garnet -- redox gradient -- high-pressure experiment
Аннотация: Experimental modeling of the processes of formation of ferric carbonate-silicate melts through the carbonate-oxide-metal interaction is performed in the (Mg,Ca)CO3-SiO2-Al2O3-Fe0 system at 6.3 and 7.5 GPa and within 1150-1650 °C, using a multianvil high-pressure apparatus of “split-sphere” type (BARS). Two parallel reactions run in the subsolidus region (1150-1450 °C): decarbonation, producing pyrope-almandine (Fe# = 0.40-0.75) and CO2 fluid, and redox interaction between carbonate and Fe0, resulting in the crystallization of iron carbide in assemblage with magnesiowustite (Fe# = 0.75-0.85). It is shown that the reduction of carbonate or CO2 fluid by iron carbide and parallel redox interaction of magnesiowustite with CO2 produce graphite in assemblage with Fe3 + -containing magnesiowustite. In the temperature range of 1450-1650 °C, generation of carbonate-silicate melts coexisting with pyrope-almandine, magnesiowustite, magnetite, ferrospinel, and graphite takes place. The composition of the produced melts is as follows: SiO2 - 10-15 wt.%, X(FeO + Fe2O3) = 36-43 wt.%, and Fe3+/XFe - 0.18-0.23. These Fe3 + -enriched carbonate-silicate melts/fluids are saturated with carbon and are the medium of graphite crystallization. Oxide and silicate phases (almandine, ferrospinel, and magnetite) coexisting with graphite are also characterized by high Fe3+/XFe values. It has been established that Fe3 + -enriched carbonate-silicate melts can result from the interaction of Fe0-containing rocks with carbonated rocks. In the reduced mantle (with the presence of iron carbides or oxides), melts of this composition can be the source of carbon and the medium of graphite crystallization at once. After separation and ascent, these ferric carbonate-silicate melts can favor oxidizing metasomatism in the lithospheric mantle.

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Публикация на русском языке Роль пород, содержащих самородное железо, в образовании железистых карбонатно-силикатных расплавов: экспериментальное моделирование при P-T-параметрах литосферной мантии [Текст] / Ю. В. Баталева [и др.] // Геол. и геофиз. - Новосибирск : Изд-во СО РАН, 2015. - Т. 56 № 1-2. - С. 188-203

Держатели документа:
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Novosibirsk State Univ, Novosibirsk 630090, Russia.

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Sokol, A. G.; Borzdov, Yu. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Siberian Branch of the Russian Academy of Sciences [31]; Russian Foundation for Basic Research [12-05-00740]
}
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17.

    Engineering oxygen vacancies towards self-activated BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials: An experimental and theoretical analysis / L. Ma [et al.] // Phys. Chem. Chem. Phys. - 2015. - Vol. 17, Is. 46. - P. 31188-31194, DOI 10.1039/c5cp05130d. - 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. . - ISSN 1463-9076
   Перевод заглавия: Разработка кислородных вакансий для самоактивируемых люминесцентных материалов BaLuAlxZn4-xO7-(1-x)/2: экспериментальный и теоретический анализ

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
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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School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Council of Scientific and Industrial Research-National Physical Laboratory Dr K S Krishnan Marg, New Delhi, India
Department of Physics, Indian Institute of Technology, Hauz Khas, New Delhi, India
New Technologies-Research Centre, University of West Bohemia, Univerzitni 8, Pilsen, Czech Republic
Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, Kangar, Perlis, Malaysia

Доп.точки доступа:
Ma, L.; Xia, Z.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Auluck, S.; Reshak, A. H.; Liu, Q.
}
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18.

New method for regulating the activity of ABO3 perovskite catalysts / S. N. Vereshchagin [et al.] // Kinet. Catal. - 2015. - Vol. 56, Is. 5. - P. 640-645, DOI 10.1134/S0023158415040199. - 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). . - ISSN 0023. - ISSN 1608-3210. -

РУБ Chemistry, Physical
Рубрики:
MEMBRANE REACTORS
   METHANE COMBUSTION
   OXIDATION
   OXIDES
   OXYGEN
   PERFORMANCE
   FEATURES
   PHASES
   CO
Кл.слова (ненормированные):
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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Публикация на русском языке Новый способ регулирования активности катализаторов АВО3 со структурой перовскита [Текст] / С. Н. Верещагин [и др.] // Кинетика и катализ. - М. : Наука, 2015. - Т. 56 № 5. - С. 649-664

Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Vereshchagin, S. N.; Solov'ev, L. A.; Соловьев, Леонид Александрович; Rabchevskii, E. V.; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Anshits, A. G.; Аншиц, Александр Георгиевич; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]
}
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19.

    Верещагин, С. Н.
    Изучение фазового перехода порядок-беспорядок в нестехиометрическом Sr-Gd-кобальтате методами ДСК, ТГ и РСА / С. Н. Верещагин, В. А. Дудников, Л. А. Соловьев // Журн. СФУ. Сер. "Химия". - 2016. - Т. 9, № 3. - С. 326-336 ; J. Sib. Fed. Univ. Chem., DOI 10.17516/1998-2836-2016-9-3-326-336. - Библиогр.: 26. - Исследование выполнено при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда поддержки научной и научно-технической деятельности в рамках научного проекта 16-43-240505 «р_а». . - ISSN 1998-2836. - ISSN 2313-6049
   Перевод заглавия: DSC+TG and XRD study of order-disorder transition in nonstoichiometric Sr-Gd-cobaltate
Рубрики:
PEROVSKITE-TYPE OXIDES
   PHASE-TRANSITION
   OXYGEN SORPTION
   PERFORMANCE
Кл.слова (ненормированные):
perovskite -- order-disorder -- phase transition -- DSC -- перовскит -- порядок-беспорядок -- фазовый переход -- ДСК
Аннотация: Методами термического и рентгеноструктурного анализа в интервале температур 11001473 К изучен процесс взаимопревращения тетрагонального перовскита Sr ( 0.8 ) Gd ( 0.2 ) CoO ( 3-d ) с упорядоченным расположением катионов Sr/Gd и анионных вакансий в кубическую разупорядоченную модификацию. Показано, что фазовое превращение протекает как размытый фазовый переход первого рода. Процесс разупорядочения не зависит от скорости нагрева и контролируется термодинамическими характеристиками процессов в кристалле, тогда как процесс образования упорядоченной тетрагональной структуры контролируется кинетическими факторами. Проведен количественный анализ температурной зависимости теплоемкости на основе размытых фазовых переходов.
Process of interconversion of tetragonal Sr(0.8) Gd(0.2) CoO(3-d) (with ordered Sr/Gd cations and anion vacancies) to cubic one (with disordered structure) was studied by X-ray structural and thermal analysis at 1100-1473 K. It was shown that the transformation is a first order diffuse phase transition. The ramp rate does not affect cation and anion vacancies disordering which is controlled by thermodynamic parameters of the processes in the solid whereas cubic to tetragonal transition is kinetically controlled. A theory of diffuse phase transition was applied to quantitatively analyze heat capacity temperature dependence.

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Держатели документа:
Институт химии и химической технологии СО РАН
Институт физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Дудников, Вячеслав Анатольевич; Dudnikov, V. A.; Соловьев, Леонид Александрович; Solovyov L. A.; Vereshchagin S. N.

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20.

Sobol, A. A.
Raman spectroscopy of crystalline, glassy, and molten states of lead diborate / A. A. Sobol, V. E. Shukshin, A. I. Zaitsev // Opt. Spectrosc. - 2016. - Vol. 121, Is. 6. - P. 810-818, DOI 10.1134/S0030400X16120249. - Cited References: 30. - This work was performed with financial support from RFBR, research project no. 13-02-00707. . - ISSN 0030-400X
Кл.слова (ненормированные):
Boron -- Crystalline materials -- Raman scattering -- Single crystals -- Internal vibration -- Molten state -- Oxygen complexes -- Phonon lines -- Polarized Raman spectra -- Glass
Аннотация: Polarized Raman spectra of single crystals of lead diborate, PbB4O7 (PBO), are studied in detail at 300 K. The TO-, LO-, and IO-phonon lines of the A1, A2, B1, and B2 symmetries in the Raman spectra of this compound are assigned. Changes in the Raman spectra of the internal vibrations of boron–oxygen complexes upon transition from the crystalline to the glassy and the molten states of PBO are observed. On the basis of the obtained results, the regularities in the formation of boron–oxygen complexes in glasses, melts, and crystals of the PbO · 2B2O3, SrO · 2B2O3, and Li2O · 2B2O3. diborate compositions are analyzed. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Соболь А. А. Спектроскопия комбинационного рассеяния света в кристаллическом, стеклообразном и расплавленном состояниях дибората свинца [Текст] / А. А. Соболь, В. Е. Шукшин, А. И. Зайцев // Оптика и спектроскопия : Наука, 2016. - Т. 121 № 6. - С. 871–880

Держатели документа:
Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shukshin, V. E.; Zaitsev, A. I.; Зайцев, Александр Иванович
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