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Unbiased crystal structure prediction of NiSi under high pressure / P. N. Gavryushkin [et al.] // J. Appl. Crystallogr. - 2015. - Vol. 48, No. 3. - P. 906-908, DOI 10.1107/S1600576715005488. - Cited References:29. - We thank the Information Technology Centre of Novosibirsk State University for providing access to the cluster computational resources. The research was financially supported by the Russian Science Foundation (grant No. 14-17-00601) and performed under the program of the Ministry of Education and Science of Russia (project No. 14.B25.31.0032). The work of ZIP is supported by the Leading Science School program (No. NS-2886.2014.2). . - ISSN 0021. - ISSN 1600-5767. -

РУБ Crystallography
Рубрики:
AUGMENTED-WAVE METHOD
   PHASE-TRANSITIONS
   STABILITY
   EQUATIONS
   STATE
Кл.слова (ненормированные):
Earth's core -- pressure -- ab initio calculations -- FeSi -- NiSi -- CoSi -- MnSi -- isomorphism
Аннотация: On the basis of an unbiased structure prediction, it is shown that the stable form of NiSi under pressures of 100 and 200 GPa is the Pmmn structure. Furthermore, a new stable phase has been discovered: the deformed tetragonal CsCl-type structure with a = 2.174 Å and c = 2.69 Å at 400 GPa. Specifically, the sequence of high-pressure phase transitions is the following: the Pmmn structure below 213 GPa, the tetragonal CsCl type in the range 213–522 GPa, and cubic CsCl higher than 522 GPa. As the CsCl-type structure is considered as the model structure of the FeSi compound at the conditions of the Earth's core, this result implies restrictions on the Fe–Ni isomorphic miscibility in FeSi.

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Держатели документа:
Russian Acad Sci, VS Sobolev Inst Geol & Mineral, Siberian Branch, Moscow 117901, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Univ Auckland, Dept Comp Sci, Auckland 1, New Zealand

Доп.точки доступа:
Gavryushkin, P. N.; Popov, Z. I.; Попов, Захар Иванович; Litasov, K. D.; Gavryushkin, A.
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Triplet p-Wave Superconductivity in the Low-Density Extended Hubbard Model with Coulomb Repulsion / M. Y. Kagan [et al.] // JETP Letters. - 2011. - Vol. 93, Is. 12. - P. 725-730, DOI 10.1134/S0021364011120083. - Cited References: 42. - We acknowledge useful with A. V. Chubukov, A.S. Alexandrov, I.A. Fomin, K.I. Kugel, and V. V. Kabanov for stimulating discussions. This work was supported by the Russian Foundation for Basic Research (project nos. 11-02-00708 and 11-02-00741). M.S.M acknowledges the support of the US Department of Energy (award no. DE-FG02-08ER64623, Hofstra University Center for Condensed Matter). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
T-J MODEL
   FERMI GAS
   SUPERFLUID TRANSITION
   PHASE-SEPARATION
   SYSTEMS
   TEMPERATURES
   BEHAVIOR
   LIQUID
   POINT
   STATE
Аннотация: We analyze superconducting instabilities in 3D and 2D extended Hubbard model with Coulomb repulsion between electrons on neighboring sites in the limit of low electron density (n(el) - 0) on simple cubic (square) lattice. We show that in a realistic strong-coupling case U V W (U and V are the onsite and the intersite Coulomb repulsions, respectively, and W the bandwidth) the main SC instability corresponds to the p-wave pairing and in the leading order is correctly described by the equations obtained earlier in the absence of the intersite Coulomb interaction V = 0.

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Держатели документа:
[Kagan, M. Yu.] Russian Acad Sci, Kapitza Inst Phys Problems, Moscow 119334, Russia
[Efremov, D. V.] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany
[Marienko, M. S.] Hofstra Univ, Dept Phys & Astron, Hempstead, NY 11549 USA
[Val'kov, V. V.] Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kapitza Institute for Physical Problems, Russian Academy of Sciences, Moscow 119334, Russian Federation
Max-Planck-Institut fur Festkorperforschung, D-70569 Stuttgart, Germany
Department of Physics and Astronomy, Hofstra University, Hempstead, NY 11549, United States
Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Kagan, M. Y.; Efremov, D. V.; Marienko, M. S.; Val'kov, V. V.; Вальков, Валерий Владимирович
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Transport and magnetic properties of Y3/4Lu1/4Ba2Cu3O7+Y3Fe5O12 composites representing a Josephson-type superconductor-ferrimagnet-superconductor weak-link network / K. A. Shaikhutdinov [et al.] // Phys. Solid State. - 2003. - Vol. 45, Is. 10. - P. 1866-1873, DOI 10.1134/1.1620087. - Cited References: 36 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
RESISTIVE PROPERTIES
   JUNCTION NETWORK
   SYSTEM
   TRANSITION
   CURRENTS
   VOLTAGE
   STATE
   FIELD
Аннотация: Y3/4Lu1/4Ba2Cu3O7 + Y3Fe5O12 composites with different volume ratios of the starting components were synthesized. The composites model an S-F-S Josephson junction network, where S stands for a superconductor and F, for a ferrimagnet. A study of the transport characteristics of the composites revealed that the temperature behavior of the electrical resistivity rho(T) below the superconducting transition point T-C is different in two regions separated by a temperature T-m. Below T-m, the current-voltage characteristics of the composites are nonlinear, while in the interval from T-C to T-m the values of rho(T) do not depend on the transport current j and magnetic field H. This behavior of rho(T, j ) and rho(T, H) is assigned to specific features of the tunneling of superconducting carriers through the ferrimagnetic layers separating HTSC grains in the composite. Magnetic measurements showed the diamagnetic response of HTSC grains to be lower in composites with a ferrimagnet. (C) 2003 MAIK "Nauka / Interperiodica".

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

Доп.точки доступа:
Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Balaev, D. A.; Балаев, Дмитрий Александрович; Popkov, S. I.; Попков, Сергей Иванович; Petrov, M. I.; Петров, Михаил Иванович
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Korshunov, M. M.
Theory of magnetic excitations in iron-based layered superconductors / M. M. Korshunov, I. . Eremin // Phys. Rev. B. - 2008. - Vol. 78, Is. 14. - Ст. 140509, DOI 10.1103/PhysRevB.78.140509. - Cited References: 31 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
NEUTRON-SCATTERING
   INSTABILITY
   STATE
   ORDER
   MODEL
Аннотация: Based on the effective four-band model we analyze the spin response in the normal and superconducting states of the Fe-pnictide superconductors. While the normal-state spin excitations are dominated by the continuum of the interorbital antiferromagnetic fluctuations and the intraband spin-density wave fluctuations, the unconventional superconductivity yields different feedback. The resonance peak in the form of the well-defined spin exciton occurs only for the interband scattering at the antiferromagnetic momentum Q(AFM) for the s(+/-) (extended s wave) superconducting order parameter and it disappears rapidly for q Q(AFM). The resonance feature is extremely weak for the d(x)(2)-y(2)-wave order parameter due to the specific Fermi-surface topology of these compounds. The essential difference between s(+/-)-wave and d(x)(2)-y(2)-wave symmetries for the magnetic excitations can be used for experimental determination of the superconducting wave-function symmetry.

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Держатели документа:
[Korshunov, M. M.
Eremin, I.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Korshunov, M. M.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Eremin, I.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Math & Theoret Phys, D-38106 Braunschweig, Germany
ИФ СО РАН
Max-Planck-Institut fur Physik Komplexer Systeme, D-01187 Dresden, Germany
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute fur Mathematische und Theoretische Physik, Technische Universitat Braunschweig, D-38106 Braunschweig, Germany

Доп.точки доступа:
Eremin, I.; Коршунов, Максим Михайлович
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Theoretical study of the magnetic properties of ordered vacancies in 2D hexagonal structures: Graphene, 2D-SiC, and h-BN / N. S. Eliseeva [et al.] // JETP Letters. - 2012. - Vol. 95, Is. 11. - P. 555-559, DOI 10.1134/S0021364012110045. - Cited References: 29 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   METALS
   TRANSITION
   DEFECTS
   STATE
Аннотация: The magnetic properties of vacancies in 2D hexagonal structures-graphene and 2D-SiC and h-BN monolayers-have been studied. It has been found that a local magnetic moment exists in all listed systems in the presence of vacancies. However, in 2D hexagonal silicon carbide, the local magnetic moment appears only in the presence of silicon vacancy. In addition, the effect of the distance between vacancies in a monolayer on transitions between the ferromagnetic and antiferromagnetic states has been revealed.

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Публикация на русском языке Теоретическое исследование магнитных свойств упорядоченных вакансий в 2D гексагональных структурах: графен, 2D-SiC, h-BN [Текст] / Н. С. Елисеева [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 95 Вып. 11/12. - С. 633-637

Держатели документа:
[Eliseeva, N. S.
Kuzubov, A. A.
Ovchinnikov, S. G.
Serzhantova, M. V.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
[Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Kuzubov, A. A.
Ovchinnikov, S. G.
Tomilin, F. N.
Fedorov, A. S.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Serzhantova, M. V.] Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Fedorov, A. S.] Moscow State Univ Econ Stat & Informat, Krasnoyarsk Branch, Krasnoyarsk 660012, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Serzhantova, M. V.; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович
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    The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study / X. Jiang [et al.] // J. Appl. Phys. - 2016. - Vol. 119, Is. 5. - Ст. 055901, DOI 10.1063/1.4941266. - Cited References: 56. - This work was supported by the National Scientific Foundations of China (Grant No. 11474292), the Special Foundation of the Director of Technical Institute of Physics and Chemistry (TIPC), and the Opening Project of the Key Laboratory of Cryogenics in TIPC, Chinese Academy of Sciences, China “863” Project (No. 2015AA034203) and “973” Project (No. 2014CB921301). . - ISSN 0021-8979
   Перевод заглавия: Механизм отрицательного теплового расширения площади в семействе кристаллов KBe2BO3F2: первопринципный расчет

РУБ Physics, Applied
Рубрики:
PSEUDOPOTENTIALSSTATE
   COMPRESSIBILITY
   TETRAHEDRA
   RANGE
   STATE
Аннотация: A very recent study demonstrated that the KBe2BO3F2 (KBBF) family of crystals, including KBBF, RbBe2BO3F2, and CsBe2BO3F2, are the only known borates exhibiting a rarely occurring isotropic area negative thermal expansion (NTE) behavior, over a very large temperature range. In the present work, the NTE mechanism in these crystals is comprehensively investigated using the first-principles calculations. It is revealed that the area NTE behavior mainly originates from the concerted distortion of [BeO3F] tetrahedra in the two-dimensional [Be2BO3F2] framework with respect to temperature, while the [BO3] triangles remain almost rigid. Moreover, the different magnitude of NTE effect in the three crystals is attributed to the interaction difference between the alkali metal atoms (K, Rb, or Cs) and the [Be2BO3F2] layer. © 2016 AIP Publishing LLC.

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Держатели документа:
Center for Crystal Research and Development, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, China
University of Chinese Academy of Sciences, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan, China
Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, China

Доп.точки доступа:
Jiang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, W.; Wu, S.; Lin, Z.; Wu, Y.; Chen, C.
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The mechanism of suppression of strong electron correlations in FeBO3 at high pressures / A. G. Gavriliuk [et al.] // J. Exp. Theor. Phys. - 2004. - Vol. 99, Is. 3. - P. 566-573, DOI 10.1134/1.1809686. - Cited References: 18 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
MAGNETIC COLLAPSE
   TRANSITION
   SPECTRA
   ABSORPTION
   STATE
Кл.слова (ненормированные):
Crystal structure -- High pressure effects -- Light absorption -- Parameter estimation -- Phase transitions -- Spectrum analysis -- Crystal field -- Electron correlations -- Generalized tight binding method -- Hybridization -- Iron compounds
Аннотация: The optical absorption spectra of iron borate (FeBO3) are measured at high pressures up to P = 82 GPa. A mechanism of suppression of strong electron correlations is proposed within the framework of the generalized tight binding method, which leads to the experimentally observed magnetic, electronic, and structural phase transitions. Taking into account peculiarities of the crystal structure of FeBO3 and the strong s-p hybridization of boron and oxygen, it is established that, as the distance between ions varies with increasing pressure, the crystal field parameter begins to play a decisive role in the electron transitions, while the influence of the d band broadening is negligibly small. Parameters of the theory are calculated as functions of the pressure. (C) 2004 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, Shubnikov Inst Crystall, Moscow, Russia
Russian Acad Sci, Inst High Pressure Phys, Troitsk 142092, Russia
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow, 119333, Russian Federation
Institute of High-Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow region, 142092, Russian Federation
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Gavriliuk, A. G.; Trojan, I. A.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lyubutin, I. S.; Sarkisyan, V. A.
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Synthesis, crystal structure, and magnetic properties of the YbFeTi2O7 compound / T. V. Drokina [et al.] // Phys. Solid State. - 2018. - Vol. 60, Is. 3. - P. 532-536, DOI 10.1134/S1063783418030095. - Cited References:13 . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
STATE
Аннотация: We report on the synthesis conductions and results of experimental investigations of the crystal structure and magnetic properties of a new magnetic compound YbFeTi2O7. According to the X-ray diffractometry data, the crystal structure of the investigated compound is described by the rhombic space group Pcnb with unit cell parameters of a = 9.8115(1) Å, b = 13.5106(2) Å, and c = 7.31302(9) Å and atomic disordering in the distribution of iron ions Fe3+ over five structural sites. The magnetic measurements in the lowtemperature region revealed a kink in the temperature dependence of the magnetic moment and its dependence on the sample magnetic prehistory. The experimental results obtained suggest that with a decrease in temperature the sample passes from the paramagnetic state to the spin-glass-like magnetic state characterized by a freezing temperature of T f = 4.5 K at the preferred antiferromagnetic exchange coupling in the sample spin system. The chemical pressure variation upon replacement of rare-earth ion R by Yb in the RFeTi2O7 system does not change the crystal lattice symmetry and magnetic state.

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Публикация на русском языке Синтез, кристаллическая структура и магнитные свойства соединения YbFeTi2O7 [Текст] / Т. В. Дрокина [и др.] // Физ. тверд. тела. - 2018. - Т. 60 Вып. 3. - С. 526–530

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Khabarovsk 680000, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Drokina, T. V.; Дрокина, Тамара Васильевна; Petrakovskii, G. A.; Петраковский, Герман Антонович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич
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Synthesis and study of manganese-containing endohedral fullerenes / N. V. Bulina [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 3. - P. 599-602, DOI 10.1134/S1063783407030377. - Cited References: 15 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PLASMA
STATE
C-60
Аннотация: Fullerenes containing manganese and iron atoms are synthesized in a high-frequency carbon-helium plasma at atmospheric pressure. The electron paramagnetic resonance (EPR) spectrum of the synthesized compound contains not only lines attributed to iron atoms but also the lines of a manganese ion pair with an additional hyperfine structure. The latter lines are assigned to the endohedral complex Mn-2@C-n (n 70). The possible existence of these structures is evaluated from quantum-chemical calculations of the optimum geometry of the endohedral fullerene Mn-2@C-84 with C-2V symmetry. It is found that the manganese atoms are spaced similar to 2.72 angstrom apart at the center of the molecule.

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

Доп.точки доступа:
Bulina, N. V.; Булина, Наталья Васильевна; Petrakovskaya, E. A.; Петраковская, Элеонора Анатольевна; Fedorov, A. S.; Федоров, Александр Семенович; Churilov, G. N.; Чурилов, Григорий Николаевич
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10.

Study of the high-coercivity material based on ε-Fe2O3 nanoparticles in the silica gel matrix / D. A. Balaev [et al.] // Tech. Phys. Lett. - 2016. - Vol. 42, Is. 4. - P. 347-350, DOI 10.1134/S1063785016040039. - Cited References: 17. - This study was supported by the Federal Agency for Scientific Organizations of Russia (base budget financing no. V.44.1.15), the Scientific and Educational Center of Energy-Efficient Catalysis at the Novosibirsk State University, and the Russian Foundation for Basic Research (project no. 15-32-50919). . - ISSN 1063-7850

РУБ Physics, Applied
Рубрики:
Phase
   Field
   State
   Oxide
   Iron
Аннотация: We report the results of investigations of ε-Fe2O3 magnetic nanoparticles obtained by incipient wetness impregnation of silica gel. It was established that the obtained samples with an iron content of 12‒16% mass % containing ε-Fe2O3 nanoparticles with an average size of 10 nm on the silica gel surface exhibit a room-temperature coercivity of about 10 kOe. Along with fabrication simplicity, this fact makes the prepared samples promising for application as a magnetically hard material. © 2016, Pleiades Publishing, Ltd

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Публикация на русском языке Исследование высококоэрцитивного материала на основе наночастиц ε-Fe2O3 в матрице силикагеля [Текст] / Д. А. Балаев [и др.] // Письма в Журн. технич. физ. : Санкт-Петербургская издательско-книготорговая фирма "Наука", 2016. - Т. 42 Вып. 7. - С. 23-30

Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Boreskov Institute of Catalysis, Russian Academy of Sciences, Siberian Branch, Novosibirsk, Russian Federation
Novosibirsk State University, Novosibirsk, Russian Federation
International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw, Poland

Доп.точки доступа:
Balaev, D. A.; Балаев, Дмитрий Александрович; Yakushkin, S. S.; Dubrovskii, A. A.; Дубровский, Андрей Александрович; Bukhtiyarova, G. A.; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Martyanov, O. N.
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