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    Aleksandrov, K. S.
    Crystal chemistry and prediction of compounds with a structure of skutterudite type / K. S. Aleksandrov, B. V. Beznosikov // Crystallogr. Rep. - 2007. - Vol. 52, Is. 1. - P. 28-36, DOI 10.1134/S106377450701004X. - Cited References: 47 . - ISSN 1063-7745
Рубрики:
SUPERCONDUCTOR PROS4SB12
   MAGNETIC-PROPERTIES
   HIGH-PRESSURE
   RARE-EARTH
   TRANSITION
   LAFE4P12
Аннотация: Crystallochemical analysis of skutterudite-type structures in the BX3, AB(4)X(12), and A B-3' B4O12 compositions (A and B are metals; X = P, As, Sb) has been performed. Probable regions of structure formation are determined, thereby indicating that more than 270 new compounds of the AB4X12 composition can be synthesized.(1)

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Публикация на русском языке Александров, Кирилл Сергеевич. Кристаллохимия и прогноз соединений со структурой типа скуттерудита [Текст] / К. С. Александров, Б. В. Безносиков // Кристаллография. - 2007. - Т. 52 Вып. 1. - С. 32-40

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич
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    Single-crystal and powder neutron diffraction study of the FeXMn1−XS solid solutions / G. Abramova [et al.] // J. Alloys Compd. - 2015. - Vol. 632. - P. 563-567, DOI 10.1016/j.jallcom.2015.01.162DOI 10.1002/chin.201522001. - Cited References:23. - This study was supported in part by the INTAS project no. 06-1000013-9002 and the CRDF-SB RAS project no. RUP1-7054-KR-11, N 16854.
Ref.: ChemInform abstract, 2015, Vol. 46, Is. 22. - Wiley online library
. - ISSN 0925. - ISSN 1873-4669
   Перевод заглавия: Нейтронографическое исследование порошков и монокристаллов твердых растворов FeXMn1-XS методами монокристальной и порошковой нейтронографии

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
PHASE-TRANSITIONS
   ALPHA-MNS
   MAGNETIC STRUCTURES
   HIGH-PRESSURE
   FEO
Кл.слова (ненормированные):
Magnetic semiconductors -- Neutron diffraction
Аннотация: The α-MnS-based FeXMn1−XS (0 < x < 0.3) solid solutions are synthesized and shown to be new Mott materials with the rock salt structure. Neutron diffraction data show that the chemical-pressure-induced Neel temperature shift from 150 (x = 0) to 200 K (x = 0.29) observed in these materials is accompanied by a decrease in the NaCl-type cubic lattice parameters. It is established that at the symmetry transformation in the compositions with x = 0.25 and 0.29 the structural transition occurs, which is followed by the magnetic transition. These features make the FeXMn1−XS solid solutions interesting for both fundamental study of the interrelation between the magnetic, electrical, and structural properties in MnO-type strongly correlated electron systems and application.

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Abstract

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Paul Scherrer Inst, LNS, CH-5232 Villigen, Switzerland.
Inst Max von Laue Paul Langevin, Grenoble 9, France.
Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk 630090, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Abramova, G. M.; Абрамова, Галина Михайловна; Schefer, Juerg; Aliouane, N.; Boehm, M.; Petrakovskiy, G. A.; Петраковский, Герман Антонович; Vorotynov, A. M.; Воротынов, Александр Михайлович; Gorev, M. V.; Горев, Михаил Васильевич; Bovina, A. F.; Бовина, Ася Федоровна; Sokolov, V. V.; Соколов В. В.
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Conditions for diamond and graphite formation from iron carbide at the P-T parameters of lithospheric mantle / Y. V. Bataleva [et al.] // Russ. Geol. Geophys. - 2016. - Vol. 57, Is. 1 : Tectonics, geodynamics, and petrology of earth’s lithosphere and mantle (to the 80th birthday of Academician Nikolai Leontievich Dobretsov). - P. 176-189, DOI 10.1016/j.rgg.2016.01.012. - Cited References:55. - This work was supported by the Russian Science Foundation under Grant No. 14-27-00054. . - ISSN 1068-7971. - ISSN 1878-030X

РУБ Geosciences, Multidisciplinary
Рубрики:
DEEP CARBON-CYCLE
   EARTHS MANTLE
   MINERAL INCLUSIONS
   HIGH-PRESSURE
   KOKCHETAV MASSI
   SUBDUCTION ZONES
   REDOX BUDGET
   FERRIC IRON
   MOSSBAUER
   METAL
Кл.слова (ненормированные):
iron carbide -- wusite -- graphite -- diamond -- oxides -- olivine -- subduction -- redox interaction -- lithospheric mantle -- high-pressure experiment
Аннотация: To estimate conditions for the stability of iron carbide under oxidation conditions and to assess the possibility of formation of elemental carbon by interaction between iron carbide and oxides, experimental modeling of redox interaction in the systems Fe3C-Fe2O3 and Fe3C-Fe2O3-MgO-SiO2 was carried out on a split-sphere high-pressure multianvil apparatus at 6.3 GPa and 900-1600 degrees C for 18-20 h. During carbide-oxide interaction in the system Fe3C-Fe2O3, graphite crystallizes in assemblage with Fe3+-containing wusite. Graphite forms from carbide carbon mainly by cohenite oxidation: Fe3C + 3Fe(2)O(3) -> 9FeO + C-0 and FeO + Fe3C -> (Fe2+, Fe3+)O + C-0. At above-solidus temperatures (>= 1400 degrees C), when metal-carbon melt is oxidized by wusite, graphite and diamond crystallize by the redox mechanism and form the Fe3+-containing wstite + graphite/diamond assemblage. Interaction in the system Fe3C-Fe2O3-MgO-SiO2 results in the formation of Fe3+-containing mannesiowusite-olivine-graphite assemblage. At >= 1500 degrees C, two melts with contrasting f(O2) values are generated: metal-carbon and silicate-oxide; their redox interaction leads to graphite crystallization and diamond growth. Under oxidation conditions, iron carbide is unstable in the presence of iron, silicon, and magnesium oxides, even at low temperatures. Iron carbide-oxide interaction at the mantle temperatures and pressures leads to the formation of elemental carbon; graphite is produced from carbide carbon mainly by redox reactions of cohenite (or metal-carbon melt) with Fe2O3 and FeO as well as by interaction between metal-carbon and silicate-oxide melts. The results obtained suggest that cohenite can be a potential source of carbon during graphite (diamond) formation in the lithospheric mantle and the interaction of iron carbide with iron, silicon, and magnesium oxides, during which carbon is extracted can be regarded as a process of the global carbon cycle. (C) 2016, V.S. Sobolev IGM, Siberian Branch of the RAS. Published by Elsevier B.V. All rights reserved.

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Публикация на русском языке Условия образования графита и алмаза из карбида железа при Р, Т-параметрах литосферной мантии [Текст] / Ю. В. Баталева [и др.] // Геол. и геофиз. - 2016. - Т. 57 № 1. - С. 225-240

Держатели документа:
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Pr Akad Koptyuga 3, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Ul Pirogova 2, Novosibirsk 630090, Russia.
Russian Acad Sci, Siberian Branch, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Bataleva, Yu. V.; Palyanov, Yu. N.; Borzdov, Yu. M.; Bayukov, O. A.; Баюков, Олег Артемьевич; Sobolev, N. V.; Russian Science Foundation [14-27-00054]
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Ovchinnikov, S. G.
The energy band structure and optical spectra of FeBO3 calculated with allowance for strong electron correlations / S. G. Ovchinnikov, V. N. Zabluda // J. Exp. Theor. Phys. - 2004. - Vol. 98, Is. 1. - P. 135-143, DOI 10.1134/1.1648107. - Cited References: 32. - This study was supported by the Russian Foundation for Basic Research (project no. 03-02-16286) and by the “Strongly Correlated Electrons” Program of the Department of Physical Sciences of the Russian Academy of Sciences . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
PHASE-TRANSITION
   HIGH-PRESSURE
   FERROMAGNETISM
   MODEL
Кл.слова (ненормированные):
Atomic physics -- Band structure -- Charge transfer -- Excitons -- Green's function -- Light absorption -- Dielectric gap -- Energy band structure -- Lehmann spectral representation -- Optical spectra -- Iron compounds
Аннотация: A model of the energy band structure of iron borate (FeBO3) is proposed that combines a one-electron description of the sp states of boron and oxygen with a many-electron description of the d states of iron. The Green functions of d electrons are calculated using the exact Lehmann spectral representation. The energies of the d-type quasiparticles are calculated using terms of the d(4) , d(5) , and d(6) electron configurations. The optical absorption spectrum of FeBO3 is determined by local excitons and by the electron excitations with charge transfer. The latter excitations control the nature of the dielectric gap in FeBO3 crystals. The model parameters are determined from a comparison to the exciton energies. The density of single-particle states in FeBO3 is calculated. The main bands in the calculated optical absorption spectrum agree well with experimental data for energies up to 3 eV. (C) 2004 MAIK "Nauka/Interperiodica".

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Энергетическая структура и оптические спектры FeBO[3] с учетом сильных электронных корреляций [Текст] / С. Г. Овчинников, В. Н. Заблуда // Журн. эксперим. и теор. физ. - 2004. - Т. 125 Вып. 1. - С. 150-159

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

Доп.точки доступа:
Zabluda, V. N.; Заблуда, Владимир Николаевич; Овчинников, Сергей Геннадьевич
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Analysis of the electrical and optical properties of VBO3 single crystals and Fe1-xVxBO3 solid solutions on the basis of a many-electron model of energy band structure / N. B. Ivanova [et al.] // Phys. Solid State. - 2004. - Vol. 46, Is. 8. - P. 1462-1468, DOI 10.1134/1.1788779. - Cited References: 32. - One of the authors (M.M.A.) would like to thank the Deutsche Forschungsgemeinschaft (SFB608) for financial support. This study was supported by the Russian Foundation for Basic Research (project no. 03-02-16286), the program "Integration" (project no. B0017), and the program of the Division of Physical Sciences of the Russian Academy of Sciences "Strongly Correlated Electrons" . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
MAGNETIC-PROPERTIES
   CALCITE STRUCTURE
   PHASE-TRANSITION
   FERRIC BORATE
   HIGH-PRESSURE
   FEBO3
   FE1-XCRXBO3
   FERROMAGNET
   MOSSBAUER
   SPECTRA
Аннотация: A many-electron model of the energy band structure of VBO3 and of Fe1 - xVxBO3 solid solutions is proposed with strong electron correlations taken into account. Experimental optical absorption spectra and data on the resistivity are discussed in the framework of the suggested model. Variation in the magnetic and electronic properties of VBO3 and Fe1 - xVxBO3 under high pressure is predicted. For VBO3, a Mott-Hubbard (insulator-metal) transition is expected in the high-pressure phase. In Fe1 - xVxBO3 solid solutions, a nontrivial variation in the properties is predicted, leading to the appearance of a different magnetic state. (C) 2004 MAIK "Nauka / Interperiodica".

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Публикация на русском языке Анализ электрических и оптических свойств монокристаллов VBO[3] и твердых растворов Fe[1-x]V[x]BO[3] на основе многоэлектронной модели из зонной структуры [Текст] / Н. Б. Иванова [и др.] // Физ. тверд. тела. - 2004. - Т. 46 Вып. 8. - С. 1422-1427

Держатели документа:
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, Siberian Div, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany
ИФ СО РАН
Krasnoyarsk State Tech. University, Krasnoyarsk, 660074, Russian Federation
II. Physikalisches Institut, Universitat zu Koln, Koln, 50937, Germany

Доп.точки доступа:
Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Markov, V. V.; Марков, Владимир Витальевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Rudenko, V. V.; Руденко, Валерий Васильевич; Abd-Elmeguid, M. M.
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Fedorov, A. S.
Employment of curvilinear coordinates in ab initio calculations of insulators using pseudopotentials / A. S. Fedorov // Phys. Solid State. - 1999. - Vol. 41, Is. 2. - P. 213-218, DOI 10.1134/1.1131090. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE CALCULATIONS
   ALKALINE-EARTH OXIDES
   HIGH-PRESSURE
   FORMALISM
   SOLIDS
Аннотация: The standard ab initio scheme for calculating the structure of crystals using nonlocal pseudopotentials is modified for use in curvilinear coordinates. A method for solving the Poisson equation for the Coulomb potential in a curved space in the k representation is found. It is shown in the example of calculations for crystals of insulators having an NaCl structure that the employment of a curved space permits a very significant decrease in the required size of the basis set. (C) 1999 American Institute of Physics. [S1063-7834(99)01102-8].

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Федоров, Александр Семенович
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Spin-crossover-induced Mott transition and the other scenarios of metallization in 3d(n) metal compounds / I. S. Lyubutin [et al.] // Phys. Rev. B. - 2009. - Vol. 79, Is. 8. - Ст. 85125, DOI 10.1103/PhysRevB.79.085125. - Cited References: 41 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
RARE-EARTH ORTHOFERRITES
   NARROW ENERGY BANDS
   HIGH-PRESSURE
   MAGNETIC COLLAPSE
   ELECTRON CORRELATIONS
   PHASE-TRANSITION
   STATE
   Y3FE5O12
   OXIDES
   EQUATION
Кл.слова (ненормированные):
bismuth compounds -- Hubbard model -- localised states -- metal-insulator transition -- metallisation -- spin systems
Аннотация: A different "Hubbard energy control" mechanism of the insulator-metal transition (IMT) in Mott-Hubbard insulators is discussed. This mechanism can be initiated by the lattice compression and it is driven by a spin crossover of 3d(5) ions from the high-spin state to the low-spin state. The spin crossover suppresses the effective Hubbard parameter U-eff down to the value enabling the insulator-metal transition according to the Mott mechanism U-eff/W approximate to 1. The classification of possible scenarios of metallization in the other 3d(n) metal compounds is also performed.

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Держатели документа:
[Lyubutin, I. S.] Russian Acad Sci, Inst Crystallog, Moscow 119333, Russia
[Ovchinnikov, S. G.] Russian Acad Sci, Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
[Gavriliuk, A. G.] RAS, Inst High Pressure Phys, Troitsk 142190, Moscow Region, Russia
[Struzhkin, V. V.] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA
ИФ СО РАН
Institute of Crystallography, Russian Academy of Sciences, Leninsky Pr. 59, Moscow 119333, Russian Federation
Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Institute for High Pressure Physics, RAS, Troitsk, Moscow Region, Russian Federation
Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, United States

Доп.точки доступа:
Lyubutin, I. S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavriliuk, A. G.; Struzhkin, V. V.
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