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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Eliseeva N. S., Kuzubov A. A., Ovchinnikov S. G., Serzhantova M. V., Tomilin F. N., Fedorov A. S.
Заглавие : Theoretical study of the magnetic properties of ordered vacancies in 2D hexagonal structures: Graphene, 2D-SiC, and h-BN
Место публикации : JETP Letters. - 2012. - Vol. 95, Is. 11. - P.555-559. - ISSN 0021-3640, DOI 10.1134/S0021364012110045
Примечания : Cited References: 29
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Popov Z. I., Fedorov D. A., Eliseeva N. S., Serjantova M. V., Kuzubov A. A.
Заглавие : DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures
Место публикации : Phys. Status Solidi B. - 2012. - Vol. 249, Is. 12. - P.2549-2552. - ISSN 0370-1972, DOI 10.1002/pssb.201200105
Примечания : 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.
Предметные рубрики: WALLED CARBON NANOTUBES
INITIO MOLECULAR-DYNAMICS
AB-INITIO
DEFECTS
STATE
MONOLAYER
POINTS
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fialko O., Delattre M.C., Brand J., Kolovsky A. R.
Заглавие : Nucleation in finite topological systems during continuous metastable quantum phase transitions
Место публикации : Phys. Rev. Lett.: American Physical Society, 2012. - Vol. 108, Is. 25. - Ст.250402. - ISSN 0031-9007, DOI 10.1103/PhysRevLett.108.250402
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Vasiliev A. D., Kirik S. D.
Заглавие : Enrofloxacinium citrate monohydrate: Preparation, crystal structure, thermal stability and IR-characterization
Место публикации : J. Mol. Struct.: Elsevier Science BV, 2012. - Vol. 1021. - P.112-117. - ISSN 0022-2860, DOI 10.1016/j.molstruc.2012.04.059
Примечания : 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.
Предметные рубрики: COCRYSTAL
ANTIBACTERIAL
BEHAVIOR
STATE
ACID
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Martynov S. N.
Заглавие : Incommensurate structures in a two-subsystem partially frustrated ferrimagnet
Место публикации : JETP Letters. - 2012. - Vol. 95, Is. 4. - P.188-192. - ISSN 0021-3640, DOI 10.1134/S0021364012040066
Примечания : Cited References: 23. - This work was supported by the Russian Foundation for Basic Research (project no. 10-02-00765).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Aksenov S. V., Ulanov E. A.
Заглавие : Effects of multiple reflection in the process of inelastic electron transport through an anisotropic magnetic atom
Коллективы : 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]
Место публикации : JETP Letters. - 2013. - Vol. 98, Is. 7. - P.403-409. - ISSN 0021-3640, DOI 10.1134/S0021364013200162
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shneyder E. I., Ovchinnikov S. G., Shnurenko A. V.
Заглавие : Contribution of the non-Heisenberg ring exchange to the magnetic mechanism of high-Tc superconductivity
Место публикации : JETP Letters. - 2012. - Vol. 95, Is. 4. - P.193-197. - ISSN 0021-3640, DOI 10.1134/S0021364012040078
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krinitsyn A., Nikolaev S., Ovchinnikov S. G.
Заглавие : Cluster size and shape effect on the electronic structure of the Hubbard model within the norm-conserving cluster perturbation theory
Коллективы : Siberian Federal University [F-11]; Presidium of RAS Program [20.7]; [NSh-1044.2012.2]; [MK-1168.2012.2]
Место публикации : J. Supercond. Nov. Magn.: Springer, 2014. - Vol. 27, Is. 4. - P.955-963. - ISSN 1557-1939, DOI 10.1007/s10948-013-2418-7. - ISSN 1557-1947
Примечания : 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.
Предметные рубрики: NARROW ENERGY-BANDS
CUPRATE SUPERCONDUCTORS
PHOTOEMISSION SPECTRA
PSEUDOGAP
ANTIFERROMAGNET
EXCITATIONS
EVOLUTION
SYSTEMS
PHASE
STATE
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Y. V., Oreshonkov A. S., Ivanenko A. A., Molokeev M. S., Isaenko L. I., Flerov I. N., Bogdanov E. V., Gorev M. V., Kartashev A. V., Krylov A. S.
Заглавие : Structural, spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure
Коллективы : 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]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 3. - P.599-605. - ISSN 1063-7834, DOI 10.1134/S1063783414030135. - ISSN 1090-6460
Примечания : 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).
Предметные 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Troyan I. A., Gavrilyuk A. G., Ovchinnikov S. G., Lyubutin I. S., Kazak N. V.
Заглавие : Electron transport in FeBO3 ferroborate at ultrahigh pressures
Место публикации : JETP Letters. - 2012. - Vol. 94, Is. 10. - P.748-752. - ISSN 0021-3640, DOI 10.1134/S0021364011220115
Примечания : 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").
Предметные 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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