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Magnetic and electrical properties of bismuth cobaltite Bi24(CoBi)O40 with charge ordering / S. S. Aplesnin [и др.] // Phys. Solid State. - 2012. - Vol. 54, Is. 10. - P. 2005-2014, DOI 10.1134/S106378341210006X. - Cited References: 22. - This study was supported by the Russian Foundation for Basic Research (project nos. 09-02-92001-NNS_a, 12-02-00125-a, and 11-02-98004-r_sibir'_a) . - ISSN 1063-7834

РУБ Physics + Condensed Matter
Рубрики:
Thermoelectric-power
   Co3O4
   Conductivity
   Transition
Аннотация: The compound Bi24(CoBi)O40 has been synthesized using the solid-phase reaction method. The temperature and field dependences of the magnetic moment in the temperature range 4 K T 300 K and the temperature dependences of the EPR line width and g-factor at temperatures 80 K T 300 K have been investigated. The electrical resistivity and thermoelectric power have been measured in the temperature range 100 K T 1000 K. The activation energy has been determined and the crossover of the thermoelectric power from the phonon mechanism to the electron mechanism with variations in the temperature has been observed. The thermal expansion coefficient of the samples has been measured in the temperature range 300 K T 1000 K and the qualitative agreement with the temperature behavior of the electrical resistivity has been achieved. The electrical and structural properties of the compound have been explained in the framework of the model of the electronic-structure transition with inclusion of the exchange and Coulomb interactions between electrons and the electron-phonon interaction.

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Публикация на русском языке Магнитные и электрические свойства кобальтита висмута Bi24(CoBi)O40 с зарядовым упорядочением [Текст] / С. С. Аплеснин [и др.] // Физ. тверд. тела : Физико-технический институт им. А.Ф.Иоффе РАН, 2012. - Т. 54 Вып. 10. - С. 1882-1890

Доп.точки доступа:
Aplesnin, S. S.; Аплеснин, Сергей Степанович; Udod, L. V.; Удод, Любовь Викторовна; Sitnikov, M. N.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Galyas, A. I.; Yanushkevich, K. I.
}
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Magnetic and thermoelectric properties of the Mn1-X Ni (X) S solid solutions / G. Makovetskii [et al.] // J. Korean Phys. Soc. - 2013. - Vol. 62, Is. 12. - P. 2059-2062, DOI 10.3938/jkps.62.2059. - Cited References: 9. - This study was supported by the Russian Foundation for Basic Research project No. 09-02-92001-NNS_a; No.12-02-90004 Bel_a; No. 12-02-00125_a; No. 11-02-98018 r_sibir_a, F12R-060 . - ISSN 0374-4884

РУБ Physics, Multidisciplinary
Рубрики:
NICKEL SULPHIDE
TRANSITION
Кл.слова (ненормированные):
Antiferromagnetic materials -- Semiconductor conductivity -- Manganese sulphides
Аннотация: The new sulphide Mn1-X Ni (X) S (0 T (N) . The conductivity type change from the hole to the electronic at X > 0.05 is revealed on the basis of the thermoelectric power measurements. The resistivity and thermopower behaviors are explained in terms of the impurity subband formation into MnS electron excitation gap.

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Держатели документа:
Natl Acad Sci Belarus, GO NPTs Mat Sci Ctr, Minsk 220072, Byelarus
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
MF Reshetneva Aircosm Siberian State Univ, Krasnoyarsk 660014, Russia

Доп.точки доступа:
Makovetskii, G.; Аплеснин, Сергей Степанович; Demidenko, O. F.; Galyas, A.; Yanushkevich, K.; Aplesnin, S. S.; Romanova, O. B.; Романова, Оксана Борисовна; Ryabinkina, L. I.; Рябинкина, Людмила Ивановна
}
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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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Aver'yanov, E. M.
Influence of nematic and smectic orders on polarizability of molecules of ethyl-p-(4-ethoxybenzylideneamino-)alpha-methyl cinnamate liquid crystals / E. M. Aver'yanov // Phys. Solid State. - 2013. - Vol. 55, Is. 11. - P. 2391-2396, DOI 10.1134/S1063783413110048. - Cited References: 16 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION
MBBA
Аннотация: Experimental values of the polarizability tensor gamma components of molecules of ethyl-p-(4-ethoxybenzylideneamino-)alpha-methyl cinnamate liquid crystals in the nematic and smectic A phases have been obtained. Quadratic dependences of the longitudinal, gamma (l) , and transverse, gamma (t) , components, the mean value , and anisotropy Delta gamma in both phases have been established as functions of the orientational order parameter S of molecules in a maximally wide range of S. The nematic-smectic A phase transition with a continuous variation of S manifests itself as kinks in the linear dependences of , Delta gamma, and gamma (l) on S (2) and does not influence the dependence gamma (t) (S (2)). The observed dependences have been derived in the framework of the theory of the nematic-smectic A phase transition. The factors responsible for different influences of the orientational and positional orderings of molecules on the polarizability parameters have been determined.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Влияние нематического и смектического порядка на поляризуемость молекул жидкого кристалла этил-p-(4-этоксибензилиденамино-)α-метилциннамата / Е. М. Аверьянов // Физика твердого тела. - 2013. - Т. 55, вып. 11. - С. 2271-2275

Доп.точки доступа:
Аверьянов, Евгений Михайлович
}
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P-T phase diagram of iron arsenide superconductor NdFeAsO0.88F0.12 / A. G. Gavriliuk [et al.] // Europhys. Lett. - 2012. - Vol. 100, Is. 4. - Ст. 46005, DOI 10.1209/0295-5075/100/46005. - Cited References: 26. - This work is supported by DOE (grant No. DE-FG02-02ER45955), by the Russian Foundation for Basic Research (grants 11-02-00291-a, 11-02-00636-a, 12-02-90410_Ukr-a, 12-02-31534-a), by the RAS Program "Strongly correlated electronic systems", by the Russian Ministry of Science (grants 01.164.12.HB11, 16.518.11.7021), Presidium of RAS programs "Quantum physics of condensed matter" project 20.7 and "Matter at high density of energy" project 2.16, FCP Scientific and Research-and-Educational Personnel of Innovative Russia for 2009-2013 (GK 2011-1.3.1-121-018 and GK 16.740.12.0731). Work at UT Austin is supported by Energy Frontier Research in Extreme Environments (EFree) and the Carnegie/DOE Alliance Center (CDAC). SGO and MMK were partially supported by the Leading scientific schools of Russia (NSh 1044-2012.2). MMK acknowledges support from the Dynasty Foundation and ICFPM. . - ISSN 0295-5075

РУБ Physics, Multidisciplinary
Рубрики:
TRANSITION
METAL
Аннотация: NdFeAsO0.88F0.12 belongs to the recently discovered family of high-T-C iron-based superconductors. We have studied the influence of high pressure on transport properties of this material at low temperatures using the four-probe electrical conductivity technique in a diamond cell. Contrary to La-based compounds, we did not observe a maximum in T-C under pressure. Under compression, T-C drops rapidly as a linear function of pressure with the slope k = -2.8 +/- 0.1 K/GPa. Under decompression, the behavior is completely reversible. The extrapolated value of T-C at zero pressure is about T-C(0) = 51.7 +/- 0.4 K. At pressures higher than similar to 18.4 GPa, the superconducting state disappears at all measured temperatures, although electrical resistance changes slope dramatically and shows a concave behavior. These observations may be related to the Kondo effect or to a weak localization of two-dimensional carriers at high pressures and low temperatures below similar to 45 K, indicating a competition mechanism with the superconducting phase. On the bases of our experimental data, we propose a tentative P-T phase diagram of NdFeAsO0.88F0.12. Copyright (C) EPLA, 2012

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Держатели документа:
[Gavriliuk, Alexander G.
Struzhkin, Viktor V.
Yu, Yong] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA
[Gavriliuk, Alexander G.] Russian Acad Sci, Inst Crystallog, Moscow 119333, Russia
[Gavriliuk, Alexander G.
Mironovich, Anna A.] Russian Acad Sci, Inst Nucl Res, Moscow 142190, Russia
[Ovchinnikov, Sergey G.
Korshunov, Maxim M.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Ovchinnikov, Sergey G.
Korshunov, Maxim M.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Yu, Yong
Lin, Jung-Fu] Univ Texas Austin, Jackson Sch Geosci, Dept Geol Sci, Austin, TX 78712 USA
[Jin, Changqing] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China

Доп.точки доступа:
Gavriliuk, A. G.; Struzhkin, V. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Yu, Y.; Korshunov, M. M.; Коршунов, Максим Михайлович; Mironovich, A. A.; Lin, J. F.; Jin, C. Q.
}
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Heat capacity and structure of Rb2KMeO3F3 (Me: Mo, W) elpasolites / A. V. Kartashev [et al.] // Solid State Sci. - 2012. - Vol. 14, Is. 1. - P. 166-170, DOI 10.1016/j.solidstatesciences.2011.11.019. - Cited References: 12. - This study was supported by the Siberian Branch of the Russian Academy of Sciences (Grant no. 34) and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2). . - ISSN 1293-2558

РУБ Chemistry + Physics
Рубрики:
T PHASE-DIAGRAM
Rb2KMoO3F3
TRANSITION
Кл.слова (ненормированные):
Oxyfluorides -- Crystal structure -- Phase transition -- Calorimetry
Аннотация: X-ray and heat capacity measurements were performed on Rb2KMoO3F3 and Rb2KWO3F3 single crystals. A significant difference in the thermal parameters of atoms in 4a and 8c sites of Fm-3m structure was found, which depended on the central atom. Calorimetric measurements have revealed the heat capacity anomalies at 195 and 67 K, respectively, in Rb2KMoO3F3 and Rb2KWO3F3. The standard molar enthalpy and entropy were determined. Entropy changes associated with phase transitions in oxyfluorides under study and related Rb2KTiOF5 are discussed. 2011 Elsevier Masson SAS. All rights reserved.

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Держатели документа:
[Gorev, Michail V.] Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Kartashev, Andrey V.
Gorev, Michail V.
Flerov, Igor N.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia
[Isaenko, Lyudmila I.
Zhurkov, Sergey A.] Russian Acad Sci, Inst Geol & Mineral, Novosibirsk 630090, Russia

Доп.точки доступа:
Kartashev, A. V.; Карташев, Андрей Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Isaenko, L. I.; Zhurkov, S. A.; Fokina, V. D.; Фокина, Валентина Дмитриевна; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Siberian Branch of the Russian Academy of Sciences [34]; Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-4645.2010.2]
}
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Krasnov, P. O.
Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   NANOTUBES
   TRANSITION
   ENERGY
   TEMPERATURE
   EXCHANGE
   DYNAMICS
   METALS
   C60
Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
}
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Quantum-chemical calculations on the stability and mobility of vacancies in graphene / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 7. - P. 1088-1090, DOI 10.1134/S0036024412070126. - Cited References: 18 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
   TRANSITION
   POINTS
   METALS
   LAYERS
Кл.слова (ненормированные):
graphene -- defects -- quantum-chemical simulation -- deformations
Аннотация: Thermodynamic stabilities of mono- and bivacancies in graphene for deformed and nondeformed lattices are estimated by means of quantum-chemical calculations. Monovacancy hopping constants are evaluated in dependence on the applied uniaxial deformations.

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Публикация на русском языке Квантово-химический расчет стабильности и подвижности вакансий в графене [Текст] / А. М. Кузубов [и др.] // Журн. физ. химии : Наука, 2012. - Т. 86 № 7. - С. 1204-1206

Держатели документа:
[Kuzubov, A. A.
Anan'eva, Yu E.
Fedorov, A. S.
Tomilin, F. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Fedorov, A. S.
Tomilin, F. N.
Krasnov, P. O.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Anan'eva, Y. E.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич; Krasnov, P. O.; Краснов, Павел Олегович
}
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High-capacity electrode material BC3 for lithium batteries proposed by ab initio simulations / A. A. Kuzubov [et al.] // Phys. Rev. B. - 2012. - Vol. 85, Is. 19. - Ст. 195415, DOI 10.1103/PhysRevB.85.195415. - Cited References: 22. - We thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Russia), the Joint Supercomputer Center of the Russian Academy of Sciences, the supercomputer center of the Institute of Space and Information Technologies of the Siberian Federal University, and the supercomputer center of the Moscow State University (SKIF-MGU) for providing an opportunity to use their computers for performing all calculations. The work was supported by Russian Foundation for Basic Research Grant No. 12-02-00640-a and federal program Grant No. 1.3.2, "Scientific and pedagogical specialists in innovation Russia 2009-2013." . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION
   GRAPHITE
   POINTS
   CARBON
Аннотация: The absorption energy and diffusion rates of lithium atoms inside graphitelike boron carbide (BC3) crystal are investigated by the ab initio pseudopotential density-functionalmethod using generalized gradient approximation. It is shown that lithium may effectively intercalate this structure with the maximum lithium concentration corresponding to Li2BC3 stoichiometry, which is threefold in comparison to lithium in graphite. The potential barrier values for lithium diffusion both at low and maximum concentration are about 0.19 eV, so lithium atoms inside the BC3 structure can move easily. These findings suggest that boron carbide looks like a good candidate as an anode material in lithium ion batteries.

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Держатели документа:
[Kuzubov, Alexander A.
Eliseeva, Natalya S.
Tomilin, Felix N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Fedorov, Aleksandr S.
Eliseeva, Natalya S.
Tomilin, Felix N.
Avramov, Pavel V.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Avramov, Pavel V.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Tomilin, F. N.; Томилин, Феликс Николаевич; Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.
}
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10.

Thermodynamic stability and electron structure of polymeric sandwich complexes of porphyrins with different metals / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 10. - P. 1567-1569, DOI 10.1134/S0036024412100159. - Cited References: 14 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
TRANSITION
Кл.слова (ненормированные):
porphyrins -- sandwich complexes -- electron structure -- thermodynamic stability
Аннотация: The thermodynamic stability of different conformers of the polymeric sandwich structures of metalloporphyrins (MeP) is studied by means of quantum chemistry. The possibility of forming stable layered BaP, SrP, ScP, YP, and ZrP structures with shielded and retarded conformation is demonstrated. Shielded conformers are preferable in the case of SrP, BaP, and ScP complexes, while retarded conformers are most advantageous for YP and ZrP complexes. Based on the results from calculating the electron structure of the investigated compounds, we find that SrP and BaP are semiconductors and ScP, YP, and ZrP are electrical conductors.

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Публикация на русском языке Термодинамическая устойчивость и электронная структура полимерных “сэндвичевых” комплексов порфиринов с различными металлами [Текст] / А. А. Кузубов [и др.] // Журн. физ. химии. - 2012. - Т. 86 № 10. - С. 1669-1672

Держатели документа:
[Kuzubov, A. A.
Krasnov, P. O.
Ignatova, N. Yu.
Fedorov, A. S.
Tomilin, F. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Tomilin, F. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Fedorov, A. S.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Ignatova, N. Y.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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11.

Theoretical investigation of the atomic and electronic structure of LixBC3 intercalated compounds / A. A. Kuzubov [et al.] // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 6. - P. 1018-1021, DOI 10.1134/S1063776112040103. - Cited References: 23 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   BC3
   TRANSITION
   CARBON
Аннотация: LixBC3 intercalated compounds with various configurations are studied for their possible application as electrode materials for lithium current sources. For this purpose, the band structure and the density of states were calculated for each structure, and energy stability and possible deformations due to a change in the unit cell volume during intercalation are investigated.

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Публикация на русском языке Теоретическое исследование атомной и электронной структур интеркалированных соединений LixBC3 [Текст] / А. А. Кузубов [и др.] // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 6. - С. 1162-166

Держатели документа:
[Kuzubov, A. A.
Eliseeva, N. S.
Tomilin, F. N.
Lykhin, A. O.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Tomilin, F. N.
Fedorov, A. S.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Lykhin, A. O.
}
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12.

Phase transformations of Fe3N-Fe4N iron nitrides at pressures up to 30 GPa studied by in situ X-ray diffractometry / K. D. Litasov [et al.] // JETP Letters. - 2014. - Vol. 98, Is. 12. - P. 805-808, DOI 10.1134/S0021364013250140. - Cited References: 23. - This work was supported by the Ministry of Education and Science of the Russian Federation (project nos. 14.B37.21.1261 and 14.B25.31.0032) and, in part, by the Siberian Branch, Russian Academy of Sciences (integration project no. 97 for 2012-2014). The experiments were performed in cooperation between the Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, and Tohoku University (Global Center of Excellence program "Advanced Science and Technology Center for the Dynamic Earth"). . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
Рубрики:
EQUATION-OF-STATE
   MAGNETIC-PROPERTIES
   EPSILON-Fe3N1+X
   1ST-PRINCIPLES
   DIFFRACTION
   GAMMA-Fe4N
   TRANSITION
   Fe4N
Аннотация: The parameters of the equation of state of the stable epsilon-Fe3Nx (where x = 0.8) nitride in the Fe-N system have been determined at pressures up to 30 GPa and temperatures up to 1273 K. The parameters V-0 = 81.48(2) angstrom(3), K-T = 162(3) GPa, K-T = 4.0 = 1.66(2), gamma(0) = 555 K, and q = 1 have been determined for epsilon-Fe3N0.8 by the approximation of the P V T data with the Vinet equation of state and the thermal parameters within the formalism. No anomalous change in the volume of the cell owing to possible magnetic transitions has been revealed. The instability of Fe4N at high pressures and Fe3N in the presence of a deficit of nitrogen in the system has been established. The stable phase in the temperature range of 300-673 K and the pressure range of 20-30 GPa is epsilon-Fe3N rather than epsilon-Fe3N0.8.

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Публикация на русском языке Фазовые превращения нитридов железа Fe3N–Fe4N при давлении до 30 ГПа, исследованные методом in situ рентгеновской дифрактометрии [Текст] / К. Д. Литасов [и др.] // Письма в Журн. эксперим. и теор. физ. - 2013. - Т. 98 Вып. 11-12. - С. 907-911

Держатели документа:
Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Tohoku Univ, Grad Sch Sci, Dept Earth & Planetary Mat Sci, Sendai, Miyagi 9808578, Japan

Доп.точки доступа:
Litasov, K. D.; Shatskiy, A. F.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Popov, Z. I.; Попов, Захар Иванович; Ponomarev, D. S.; Ohtani, E.; Ministry of Education and Science of the Russian Federation [14.B37.21.1261, 14.B25.31.0032]; Siberian Branch, Russian Academy of Sciences [97]
}
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13.

Contact-induced spin polarization of monolayer hexagonal boron nitride on Ni(111) / M. Ohtomo [et al.] // Appl. Phys. Lett. - 2014. - Vol. 104, Is. 5. - Ст. 51604, DOI 10.1063/1.4863324. - Cited References: 20. - This study was supported by the Grant-in-Aid for Scientific Research (Grant Nos. 23860067 and 24760033) from the Japan Society for the Promotion of Science. . - ISSN 0003-6951. - ISSN 1077-3118

РУБ Physics, Applied
Рубрики:
METASTABLE DEEXCITATION SPECTROSCOPY
   METAL-SURFACES
   FILMS
   TRANSITION
Аннотация: Hexagonal boron nitride (h-BN) is a promising barrier material for graphene spintronics. In this Letter, spin-polarized metastable de-excitation spectroscopy (SPMDS) is employed to study the spin-dependent electronic structure of monolayer h-BN/Ni(111). The extreme surface sensitivity of SPMDS enables us to elucidate a partial filling of the in-gap states of h-BN without any superposition of Ni 3d signals. The in-gap states are shown to have a considerable spin polarization parallel to the majority spin of Ni. The positive spin polarization is attributed to the pi-d hybridization and the effective spin transfer to the nitrogen atoms at the h-BN/Ni(111) interface. (C) 2014 AIP Publishing LLC.

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Держатели документа:
Japan Atom Energy Agcy, Adv Sci Res Ctr, Naka, Ibaraki 3191195, Japan
Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan
LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Ohtomo, M.; Yamauchi, Y.; Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Елисеева, Наталья Сергеевна; Avramov, P. V.; Аврамов, Павел Вениаминович; Entani, S.; Matsumoto, Y.; Naramoto, H.; Sakai, S.
}
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14.

Aver'yanov, E. M.
Orientational order and polarizability of molecules in a nematic liquid crystal / E. M. Aver'yanov // Phys. Solid State. - 2014. - Vol. 56, Is. 5. - P. 1058-1063, DOI 10.1134/S1063783414050035. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
NORMAL-BUTYLANILINE MBBA
   INTERNAL-ROTATION
   TRANSITION
   PHASE
Аннотация: The influence of the orientational order of molecules in a nematic liquid crystal on the mean value ?? and anisotropy ?? of the molecular polarizability has been studied in the framework of the molecular statistical approach with allowance for the perturbation of the electronic structure of molecules due to the change in the conformation of their aromatic core and intermolecular interactions. Experimental dependences of ?? and ?? on the molecular orientational order parameter S have been derived, and their specific features for the known objects have been explained. The possibility of separating the contributions of opposite signs to the dependence ??(S) due to the change in the conformation of molecules and intermolecular interactions has been shown using nematic MBBA as an example. © 2014 Pleiades Publishing, Ltd.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Ориентационный порядок и поляризуемость молекул в нематическом жидком кристалле [Текст] / Е. М. Аверьянов // Физ. тверд. тела. - 2014. - Т. 56 Вып. 5.- P.1019-1023

Доп.точки доступа:
Аверьянов, Евгений Михайлович
}
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15.

Electron transport in FeBO3 ferroborate at ultrahigh pressures / I. A. Troyan [et al.] // JETP Letters. - 2012. - Vol. 94, Is. 10. - P. 748-752, DOI 10.1134/S0021364011220115. - Cited References: 22. - This work was supported by the Russian Foundation for Basic Research (project nos. 09-02-01527-a, 09-02-00127-a, 09-02-00171-a, 11-02-00291-a, and 11-02-00636-a), by the Ministry of Education and Science of the Russian Federation (state contract nos. 16.518.11.7021 and MK-5632.2010.2), and by the Division of Physical Sciences, Russian Academy of Sciences (program "Strong Electron Correlations"). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
MAGNETIC COLLAPSE
TRANSITION
STATE
Аннотация: The electrical resistance of FeBO3 crystals at high and ultrahigh pressures (up to 198 GPa) and low temperatures has been measured using diamond anvil cells. It has found that in the high-pressure phase, 46 GPa ‹ P‹ 100 GPa, the activation energy E-ac decreases gradually from 0.55 to 0.3 eV according to a linear law. Its extrapolation to zero gives an estimated value of about 210 GPa for the pressure at which complete metallization is expected. However, above 100 GPa, the linear E-ac(P) dependence smoothly transforms to a nonlinear one. At the same time, the temperature dependence of the electrical resistance at fixed pressure significantly deviates from the Arrhenius activation law and does not obey the Mott law for the hopping conductivity. Experimental data demonstrate the dependence of the activation energy E-ac both on pressure and temperature. At T = 0, the gap tends to zero. Theoretical analysis shows that the decrease in E-ac upon cooling can be interpreted in terms of the transition of the low-spin FeBO3 phase to the magnetically ordered (anti-ferromagnetic) state.

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Публикация на русском языке Транспортные свойства ферро-бората FeBO3 при сверхвысоких давлениях [Текст] / И. А. Троян [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2011. - Т. 94 Вып. 10. - С. 811-815

Держатели документа:
[Troyan, I. A.
Gavrilyuk, A. G.
Lyubutin, I. S.] Russian Acad Sci, Shubnikov Inst Crystallog, Moscow 119333, Russia
[Troyan, I. A.] Max Planck Inst Chem, D-55020 Mainz, Germany
[Gavrilyuk, A. G.] Russian Acad Sci, Inst Nucl Res, Troitsk 142190, Moscow Region, Russia
[Ovchinnikov, S. G.
Kazak, N. V.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Troyan, I. A.; Gavrilyuk, A. G.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lyubutin, I. S.; Kazak, N. V.; Казак, Наталья Валерьевна
}
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16.

Temperature dependence of the spin state of a Co3+ Ion in RCoO3 (R = La, Gd) cobaltites / R. Y. Babkin [et al.] // JETP Letters. - 2014. - Vol. 99, Is. 8. - P. 476-480, DOI 10.1134/S0021364014080037. - Cited References: 16. - This work was supported by the Russian-Ukrainian project no. 27-02-12, by the National Academy of Sciences of Ukraine (complex basic research project no. 91/14-N), 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 the Russian Academy of Sciences (project no. 216), and by the Russian Foundation of the Basic Research (project no. 13-02-00358). . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
Рубрики:
EFFECTIVE NUCLEAR-CHARGE
TRANSITION
LACOO3
Аннотация: Changes in the spin state of Co3+ ions in LaCoO3 and GdCoO3 compounds are studied through the use of the temperature dependence of the magnetic susceptibility and the modified crystal field theory. It is shown that the spin subsystem of Co3+ ions in LaCoO3 and GdCoO3 undergoes the spin-crossover type transition between the high-spin (S = 2) and low-spin (S = 0) states without any contribution of the intermediate-spin state (S = 1).

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Публикация на русском языке Температурная эволюция спинового состояния иона Co3+ в кобальтитах RCoO3 (R = La, Gd) [Текст] / Р. Ю. Бабкин [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2014. - Т. 99 Вып. 7-8. - С. 547-551

Держатели документа:
Natl Acad Sci Ukraine, Donetsk Inst Phys & Engn, UA-83114 Donetsk, Ukraine
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Babkin, R.Yu.; Lamonova, K. V.; Orel, S. M.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Pashkevich, Y. G.; Russian-Ukrainian project [27-02-12]; National Academy of Sciences of Ukraine [91/14-N]; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]; Presidium of the Russian Academy of Sciences [216]; Russian Foundation of the Basic Research [13-02-00358]
}
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17.

Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material / A. V. Kuklin [et al.] // J. Alloys Compd. - 2014. - Vol. 609. - P. 93-99, DOI 10.1016/j.jallcom.2014.04.160. - Cited References: 38 . - ISSN 0925-8388. - ISSN 1873-4669

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
INITIO MOLECULAR-DYNAMICS
   AUGMENTED-WAVE METHOD
   MINIMUM ENERGY PATHS
   ELASTIC BAND METHOD
   METAL-HYDRIDES
   SADDLE-POINTS
   MAGNESIUM
   Mg
   TRANSITION
   Pd
Кл.слова (ненормированные):
Hydrogen absorbing materials -- Intermetallics -- Diffusion -- DFT -- Mg-based hydride
Аннотация: A detailed study of Ni-doped Mg(0 0 0 1) surface performed by PAW method and the gradient corrected density functional GGA-PBE within the framework of generalized Kohn–Sham density functional theory (DFT) is presented in this work. Structural and electronic properties of magnesium surface interaction with nickel for the purpose of such compounds use for creation of hydrogen storage matrixes were investigated here. Choice of the PBE functional was caused by the good accordance of its prediction of the cell parameters with experimental results. It was shown that Ni atoms prefer to substitute for Mg atoms. Using NEB method, the diffusion barrier was calculated, and the most probable reaction path was established. In particular, when the Ni atom dopes the magnesium surface, it can migrate to the bulk and substitute for Mg in subsurface layers. Also a possibility of nickel cluster formation on clean surface of magnesium was examined. The kinetic factors hinder the movement of the nickel atoms to each other and make problematic the formation of clusters. The studies presented here showed that the diffusion barriers of the nickel atom migration from the cluster on the surface to the bulk of magnesium are 1.179 eV and 1.211 eV for the forward and reverse reactions, respectively. Therefore an improvement of the hydrogenation properties of Ni-doped magnesium surface depends on deposition not of the individual atoms, but their clusters. Hydrogenation of Ni cluster doping the magnesium surface was investigated. Initially Kubas complexes arise on the Ni cluster with hydrogen–hydrogen bond lengths equal to 0.80–0.87 Å. Next the cluster needs to be saturated by hydrogen atoms to allow them later to migrate from cluster to magnesium.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuklin, A. V.; Куклин, Артем Валентинович; Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Lykhin, A. O.; Tikhonova, L. V.
}
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18.

    Kuzubov, A. A.
    Ab initio investigation of a new boron nitride allotrope / A. A. Kuzubov, L. V. Tikhonova, A. S. Fedorov // Phys. Status Solidi B. - 2014. - Vol. 251, Is. 6. - P. 1282-1285, DOI 10.1002/pssb.201350389. - Cited References: 31. - We acknowledge support of the Russian Foundation for Basic Research through Grant No. 12-02-00640. Also, we thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Krasnoyarsk), the Joint Supercomputer Center of the Russian Academy of Sciences (Moscow), the computer cluster "Chebyshev" of the Moscow State University (Moscow), and the supercomputer of the Institute of Space and Information Technologies of the Siberian Federal University for providing an opportunity to use their computers for performing all calculations. . - ISSN 0370-1972. - ISSN 1521-3951
Рубрики:
AUGMENTED-WAVE METHOD
   MOLECULAR-DYNAMICS
   TRANSITION
   METALS
Кл.слова (ненормированные):
boron nitride -- computational materials science -- density functional theory -- elastic properties -- superhard materials
Аннотация: A new allotropic superhard and superdense structure of sp3-bonded boron nitride (hP3-BN) is proposed. Geometric electronic, elastic, and optical properties of the structure are investigated by density functional theory generalized gradient approximation (DFT-GGA) calculations. It is shown that the structure is an insulator with a band gap of 5.06 eV; is density is 5.03% higher than that of cubic boron nitride (c-BN) and its bulk modulus is 2.25% higher than that of c BN. The calculated hP3-BN refractive index in the range 200-800 nm is significantly higher than the indexes of diamond and all known carbon allotropes, expect for the analogous carbon h-P3 structure, and it has a large optical dispersion. In the range above 800 nm the refractive index changes from 2.60 to 2.35. (C) WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia

Доп.точки доступа:
Tikhonova, L. V.; Fedorov, A. S.; Федоров, Александр Семенович; Кузубов, Александр Александрович; Russian Foundation for Basic Research [12-02-00640]
}
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19.

    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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20.

Transport properties of HTSC plus Ba(Pb, Met)O-3 composites as functions of the electrical and magnetic characteristics of nonsuperconducting components / M. I. Petrov [et al.] // Phys. Solid State. - 2000. - Vol. 42, Is. 5. - P. 810-815, DOI 10.1134/1.1131294. - Cited References: 27 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   CURRENT-VOLTAGE CHARACTERISTICS
   NORMAL-METAL LAYER
   WEAK LINKS
   JUNCTIONS
   SCATTERING
   BAPB1-XBIXO3
   TRANSITION
   IMPURITIES
   BREAKING
Аннотация: Composites simulating a network of weak metallic links and consisting of a classic 1-2-3 HTSC and a BaPbO3 metal oxide with incorporated Sn, Ni, and Fe impurities have been prepared. Experimental resistivity, magnetic, and Mossbauer studies of the BaPb(0.9)Met(0.1)O(3) nonsuperconducting components are presented. The transport properties of the HTSC + BaPb(0.9)Met(0.1)O(3) composites have been investigated. The superconducting properties of the composites are observed to be suppressed, both when the carrier mean free path in nonsuperconducting components with tin impurities decreases, and as a result of an additional interaction of the magnetic moments of (Fe, Ni) impurities with the spins of supercurrent carriers. The experimental temperature dependences of the composite critical current are analyzed in terms of the de Gennes theory for the superconductor-normal metal-superconductor structures. (C) 2000 MAIK "Nauka/Interperiodica".

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

Доп.точки доступа:
Petrov, M. I.; Петров, Михаил Иванович; Balaev, D. A.; Балаев, Дмитрий Александрович; Ospishchev, S. V.; Оспищев С. В.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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