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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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DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures / A. S. Fedorov [et al.] // Phys. Status Solidi B. - 2012. - Vol. 249, Is. 12. - P. 2549-2552, DOI 10.1002/pssb.201200105. - Cited References: 32. - The work was supported by The Ministry of education and science of Russia, project 14.B37.21.0163. The authors express their gratitude to the Joint Supercomputer Center, Russian Academy of Sciences, Moscow and the supercomputer center of the Moscow State University (SKIF-MGU) for the possibility of using their computer clusters to perform all calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   INITIO MOLECULAR-DYNAMICS
   AB-INITIO
   DEFECTS
   STATE
   MONOLAYER
   POINTS
Кл.слова (ненормированные):
boron nitride -- carbon silicide -- elastic properties -- graphene -- magnetic properties -- vacancies
Аннотация: Influence of ordered monovacancies on elastic properties of graphene is theoretically investigated by density functional theory (DFT) calculations. Inverse linear dependence of the graphene Young's modulus on the concentration of vacancies has been revealed and migration rate of the vacancies has been calculated as a function of applied strain. It is shown that the migration rate can be controlled by applying various strains or temperatures. The influence of ordered monovacancies on magnetic properties of graphene as well as graphene-like hexagonal carbon silicide (2D-SiC) and the boron nitride (h-BN) structures is investigated. It is established that the presence of vacancies in all systems yields the appearance of local magnetic moment. However, in 2D-SiC structure the magnetic moment occurs only in the case of a Si vacancy. Influence of the distance between vacancies on the ferromagnetic or anti-ferromagnetic ordering for all structures is established. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Popov, Z. I.
Fedorov, D. A.] RAS, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Serjantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Popov, Z. I.; Попов, Захар Иванович; Fedorov, D. A.; Федоров, Дмитрий Александрович; Eliseeva, N. S.; Serjantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович
}
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Nucleation in finite topological systems during continuous metastable quantum phase transitions / O. Fialko [et al.] // Phys. Rev. Lett. - 2012. - Vol. 108, Is. 25. - Ст. 250402, DOI 10.1103/PhysRevLett.108.250402. - Cited References: 31. - We acknowledge stimulating discussions with Jean-Sebastien Caux and Lincoln Carr. A. K. thanks Massey University for hospitality. O. F., M. C. D., and J. B. were supported by the Marsden Fund (Contract No. MAU0910) administrated by the Royal Society of New Zealand. . - ISSN 0031-9007

РУБ Physics, Multidisciplinary
Рубрики:
SYMMETRY-BREAKING
   VORTEX NUCLEATION
   BROKEN SYMMETRY
   THERMALIZATION
   SUPERFLUID
   DYNAMICS
   STATE
Аннотация: Finite topological quantum systems can undergo continuous metastable quantum phase transitions to change their topological nature. Here we show how to nucleate the transition between ring currents and dark soliton states in a toroidally trapped Bose-Einstein condensate. An adiabatic passage to wind and unwind its phase is achieved by explicit global breaking of the rotational symmetry. This could be realized with current experimental technology.

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Держатели документа:
[Fialko, Oleksandr
Delattre, Marie-Coralie
Brand, Joachim] Massey Univ, Ctr Theoret Chem & Phys, Auckland 0745, New Zealand
[Fialko, Oleksandr
Delattre, Marie-Coralie
Brand, Joachim] Massey Univ, New Zealand Inst Adv Study, Auckland 0745, New Zealand
[Kolovsky, Andrey R.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Kolovsky, Andrey R.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Fialko, O.; Delattre, M.C.; Brand, J.; Kolovsky, A. R.; Коловский, Андрей Радиевич
}
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Golovnev, N. N.
Enrofloxacinium citrate monohydrate: Preparation, crystal structure, thermal stability and IR-characterization / N. N. Golovnev, A. D. Vasiliev, S. D. Kirik // J. Mol. Struct. - 2012. - Vol. 1021. - P. 112-117, DOI 10.1016/j.molstruc.2012.04.059. - Cited References: 22. - The authors are grateful to the Ministry of Education and Science (Government Contracts # 02.740.11.0629) for the financial support of the investigation. . - ISSN 0022-2860

РУБ Chemistry, Physical
Рубрики:
COCRYSTAL
   ANTIBACTERIAL
   BEHAVIOR
   STATE
   ACID
Кл.слова (ненормированные):
Enrofloxacin -- Citric acid -- Crystal structure -- IR spectra -- Thermal analysis
Аннотация: Enrofloxacinium citrate monohydrate (I), C19H 23FN3O3+В·C6H7O7- В·H2O, [C19H22FN3O3 - enrofloxacin, EnrH] has been crystallized from the mutual solution of citric acid and enrofloxacin in ambient conditions. The colorless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The obtained compound can be considered as a salt with enrofloxacinium in the role of a cation and citrate as an anion. The ions ratio equals to 1:1. The compound crystallizes in the triclinic lattice with a = 9.0489(8) A, b = 9.6531(8) A, c = 14.913(1) A, ? = 98.813(1)В°, ? = 92.029(1)В°, ? = 91.013(1)В°, Z = 2, V = 1286.1(2) A3, S.G. P1?. The crystal structure determination reveals the importance of inter- and intramolecular interactions in the crystal formation. The EnrH2+andH3Cit- molecular ions are packed in alternating layers with water molecules inserted into the citrate layers. A citrate ion in the layer is linked via H-bondings with two adjacent ones and three water molecules. Enrofloxacinium cations are packaged by means of a benched mode and every cation is linked by three intermolecular thymus type H-bondings with nitrogens of adjacent cations and by two links with the oxygen of the citrate ions. The infrared spectra gave the evidence of H-bonding formation in the obtained salt. The ?-stacking interactions are observed between the aromatic cycles of the adjacent cations which are located in an antiparallel style in a layer. В© 2012 Elsevier B.V. All rights reserved.

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Держатели документа:
Siberian Federal University, Svobodny Ave. 79, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry and Chemical Technology SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Kirik, S. D.; Головнёв, Николай Николаевич
}
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Martynov, S. N.
Incommensurate structures in a two-subsystem partially frustrated ferrimagnet / S. N. Martynov // JETP Letters. - 2012. - Vol. 95, Is. 4. - P. 188-192, DOI 10.1134/S0021364012040066. - Cited References: 23. - This work was supported by the Russian Foundation for Basic Research (project no. 10-02-00765). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
CLASSICAL-THEORY
   MAGNETIC-FIELD
   ANTIFERROMAGNET
   CUB2O4
   STATE
Аннотация: A new incommensurate magnetic structure with a locally triangular orientation of spins has been proposed for a two-subsystem magnet with frustrated intersystem exchange and competition between exchanges in one of the subsystems. When the temperature is lowered, this structure appears from the antiferromagnetic state after a first-order phase transition. It transfers to the Yafet-Kittel triangular structure when the threshold conditions for the exchange interactions are fulfilled. An increase in the length of the frustrated exchange bonds leads to the appearance of an incommensurate phase with the local antiferromagnetic orientation of the sublattices in each subsystem between the commensurate antiferromagnetic and Yafet-Kittel phases.

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Публикация на русском языке Мартынов, Сергей Николаевич. Несоизмеримые структуры в двухподсистемном частично фрустрированном ферримагнетике [Текст] / С. Н. Мартынов // Письма в Журн. эксперим. и теор. физ. : Санкт-Петербургская издательская фирма "Наука" РАН, 2012. - Т. 95 Вып. 4. - С. 205-209

Доп.точки доступа:
Мартынов, Сергей Николаевич
}
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Val'kov, V. V.
Effects of multiple reflection in the process of inelastic electron transport through an anisotropic magnetic atom / V. V. Val'kov, S. V. Aksenov, E. A. Ulanov // JETP Letters. - 2013. - Vol. 98, Is. 7. - P. 403-409, DOI 10.1134/S0021364013200162. - Cited References: 27. - This work was supported by the Presidium of the Russian Academy of Sciences (program "Quantum Mesoscopic and Disordered Systems"), the Ministry of Education and Science of Russian Federation (state contract no. 16.740.11.0644, federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013), and the Russian Foundation for Basic Research (project nos. 12-02-31130, 13-02-00523, and 13-02-98013). S. V. A. is grateful to the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools, project nos. MK-526.2013.2 and SP-6361.2013.5. . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
QUANTUM
SPECTROSCOPY
STATE
Аннотация: The effect of multiple reflection in the process of electron transport on the current-voltage characteristics of an adsorbed magnetic atom with single-ion anisotropy has been investigated. All orders of the perturbation theory with respect to the parameter of coupling between the contacts and the multilevel impurity have been taken into account by the Keldysh diagram technique with the use of Hubbard operators. It has been shown that the current-voltage characteristics of the system in a strongly nonequilibrium regime contains regions of negative differential conductance. The ways of enhancing this effect are discussed.

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Публикация на русском языке Эффекты многократного отражения при неупругом электронном транспорте через анизотропный магнитный атом. - [S. l. : s. n.]

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia

Доп.точки доступа:
Aksenov, S. V.; Аксенов, Сергей Владимирович; Ulanov, E. A.; Вальков, Валерий Владимирович; Presidium of the Russian Academy of Sciences; Ministry of Education and Science of Russian Federation [16.740.11.0644]; Russian Foundation for Basic Research [12-02-31130, 13-02-00523, 13-02-98013]; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [MK-526.2013.2, SP-6361.2013.5]
}
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Shneyder, E. I.
Contribution of the non-Heisenberg ring exchange to the magnetic mechanism of high-Tc superconductivity / E. I. Shneyder, S. G. Ovchinnikov, A. V. Shnurenko // JETP Letters. - 2012. - Vol. 95, Is. 4. - P. 193-197, DOI 10.1134/S0021364012040078. - Cited References: 44. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-1044.2012.2), by the Russian Foundation for Basic Research (project no. 12-02-00040), by the Presidium of the Russian Academy of Sciences (program no. 20 "Quantum Mesoscopic and Disordered Systems"), jointly by the Siberian and Ural Branches of the Russian Academy of Sciences, by Siberian Federal University (project no. s/b S-11), and by the Ministry of Education and Science of the Russian Federation (state contract no. P891, federal program "Human Capital"). E.I.Sh. acknowledges the support of the Dynasty Foundation. . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
BAND HUBBARD-MODEL
   COPPER OXIDES
   ELEMENTARY EXCITATIONS
   SPIN
   ELECTRON
   STATE
   T/U
Аннотация: The effect of non-Heisenberg four-spin ring exchange on the superconducting transition temperature in strongly correlated electron systems is studied. It is shown that the ring exchange can significantly suppress the contribution of the Heisenberg exchange to superconducting pairing.

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Публикация на русском языке Шнейдер, Елена Игоревна. Влияние негейзенберговского кольцевого обмена на магнитный механизм высокотемпературной сверхпроводимости [Текст] / Е. И. Шнейдер, С. Г. Овчинников, А. В. Шнуренко // Письма в Журн. эксперим. и теор. физ. : Санкт-Петербургская издательская фирма "Наука" РАН, 2012. - Т. 95 Вып. 3-4. - С. 211-215

Держатели документа:
[Shneyder, E. I.
Ovchinnikov, S. G.
Shnurenko, A. V.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shnurenko, A. V.; Шнуренко, А. В.; Шнейдер, Елена Игоревна
}
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Krinitsyn, A.
Cluster size and shape effect on the electronic structure of the Hubbard model within the norm-conserving cluster perturbation theory / A. Krinitsyn, S. Nikolaev, S. G. Ovchinnikov // J. Supercond. Nov. Magn. - 2014. - Vol. 27, Is. 4. - P. 955-963, DOI 10.1007/s10948-013-2418-7. - Cited References: 59. - This work was supported by Grants NSh-1044.2012.2 and MK-1168.2012.2, Siberian Federal University: Grant F-11, and the Presidium of RAS Program 20.7. . - ISSN 1557-1939. - ISSN 1557-1947

РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
NARROW ENERGY-BANDS
   CUPRATE SUPERCONDUCTORS
   PHOTOEMISSION SPECTRA
   PSEUDOGAP
   ANTIFERROMAGNET
   EXCITATIONS
   EVOLUTION
   SYSTEMS
   PHASE
   STATE
Кл.слова (ненормированные):
Cluster perturbation theory -- Hubbard model -- Strong correlations -- Density of states -- Fermi surface
Аннотация: Within a new norm-conserving approach to the cluster perturbation theory (CPT) for the 2d Hubbard model we study the effect of the cluster size and shape on the electronic structure. We have compared two type of clusters, 4-cluster (2x2) and 5-cluster (cruciform of 5 atoms). With 4-cluster we can treat exactly the first and second neighbours correlations, C (1) and C (2). With 5-cluster the third neighbour correlations C (3) are also treated exactly. The band structure in the CPT with 4- and 5-clusters differs remarkably. The quasiparticle spectral weight map for 5-clusters is very similar to the Quantum Monte Carlo (QMC) and the variational CPT data. With increasing doping, small hole Fermi surface transforms into conventional Fermi-liquid type large Fermi surface through Lifshitz quantum phase transitions.

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Держатели документа:
Dostoyevsky Omsk State Univ, Omsk 644077, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Nikolaev, S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Siberian Federal University [F-11]; Presidium of RAS Program [20.7]; [NSh-1044.2012.2]; [MK-1168.2012.2]
}
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Structural, spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure / Y. V. Gerasimova [et al.] // Phys. Solid State. - 2014. - Vol. 56, Is. 3. - P. 599-605, DOI 10.1134/S1063783414030135. - Cited References: 26. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31205_mol_a), the Ministry of Education and Science of the Russian Federation within the framework of the Federal Target Program "Scientific and Scientific-Pedagogical Human Resources for the Innovative Russia" (agreement no. 8379), and the Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project no. 28). . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   CRYSTAL-STRUCTURE
   STATE
   Cs
   Mo
Аннотация: The structure, infrared and Raman spectra, heat capacity, and thermal expansion have been investigated. It has been shown that, down to liquid-helium temperatures, the cubic pyrochlore structure of the CsMnMoO3F3 and CsZnMoO3F3 oxyfluorides remains stable. The influence of cation substitution on individual features of the properties of the oxyfluorides has been analyzed.

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Публикация на русском языке Структурные, спектроскопические и теплофизические исследования оксифторидов CsZnMoO3F3 и CsMnMoO3F3 со структурой пирохлора [Текст] / Ю. В. Герасимова [и др.] // Физ. тверд. тела : ФТИ РАН, 2014. - Т. 56 Вып. 3. - С. 577-582

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Sobolev Inst Geol & Mineral, Siberian Branch, Novosibirsk 630090, Russia
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Gerasimova, Y. V.; Герасимова, Юлия Валентиновна; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Isaenko, L. I.; Flerov, I. N.; Флёров, Игорь Николаевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Krylov, A. S.; Крылов, Александр Сергеевич; Russian Foundation for Basic Research [12-02-31205_mol_a]; Ministry of Education and Science of the Russian Federation [8379]; Siberian Branch of the Russian Academy of Sciences [28]
}
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10.

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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