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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavryushkin P. N., Popov Z. I., Litasov K. D., Gavryushkin A.
Заглавие : Unbiased crystal structure prediction of NiSi under high pressure
Место публикации : J. Appl. Crystallogr.: Wiley-Blackwell, 2015. - Vol. 48, No. 3. - P.906-908. - ISSN 0021, DOI 10.1107/S1600576715005488. - ISSN 16005767(eISSN)
Примечания : 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).
Предметные рубрики: AUGMENTED-WAVE METHOD
PHASE-TRANSITIONS
STABILITY
EQUATIONS
STATE
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kagan M. Y., Efremov D. V., Marienko M. S., Val'kov V. V.
Заглавие : Triplet p-Wave Superconductivity in the Low-Density Extended Hubbard Model with Coulomb Repulsion
Разночтения заглавия :авие SCOPUS: Triplet p-wave superconductivity in the low-density extended hubbard model with Coulomb repulsion
Место публикации : JETP Letters. - 2011. - Vol. 93, Is. 12. - P.725-730. - ISSN 0021-3640, DOI 10.1134/S0021364011120083
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shaikhutdinov K. A., Balaev D. A., Popkov S. I., Petrov M. I.
Заглавие : Transport and magnetic properties of Y3/4Lu1/4Ba2Cu3O7+Y3Fe5O12 composites representing a Josephson-type superconductor-ferrimagnet-superconductor weak-link network
Разночтения заглавия :авие SCOPUS: Transport and Magnetic Properties of Y3/4Lu1/4Ba 2Cu3O7 + Y3Fe5O 12 Composites Representing a Josephson-Type Superconductor-Ferrimagnet-Superconductor Weak-Link Network
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2003. - Vol. 45, Is. 10. - P1866-1873. - ISSN 1063-7834, DOI 10.1134/1.1620087
Примечания : Cited References: 36
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Eremin I.
Заглавие : Theory of magnetic excitations in iron-based layered superconductors
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2008. - Vol. 78, Is. 14. - Ст.140509. - ISSN 1098-0121, DOI 10.1103/PhysRevB.78.140509
Примечания : Cited References: 31
Предметные 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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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) : Jiang X., Molokeev M. S., Li W., Wu S., Lin Z., Wu Y., Chen C.
Заглавие : The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study
Место публикации : J. Appl. Phys.: American Institute of Physics, 2016. - Vol. 119, Is. 5. - Ст.055901. - ISSN 00218979 (ISSN), DOI 10.1063/1.4941266
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavriliuk A. G., Trojan I. A., Ovchinnikov S. G., Lyubutin I. S., Sarkisyan V. A.
Заглавие : The mechanism of suppression of strong electron correlations in FeBO3 at high pressures
Разночтения заглавия :авие SCOPUS: The mechanism of suppression of strong electron correlations in FeBO 3 at high pressures
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2004. - Vol. 99, Is. 3. - P566-573. - ISSN 1063-7761, DOI 10.1134/1.1809686
Примечания : Cited References: 18
Предметные рубрики: MAGNETIC COLLAPSE
TRANSITION
SPECTRA
ABSORPTION
STATE
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Drokina T. V., Petrakovskii G. A., Molokeev M. S., Velikanov D. A.
Заглавие : Synthesis, crystal structure, and magnetic properties of the YbFeTi2O7 compound
Место публикации : Phys. Solid State. - 2018. - Vol. 60, Is. 3. - P.532-536. - ISSN 1063-7834, DOI 10.1134/S1063783418030095. - ISSN 1090-6460(eISSN)
Примечания : Cited References:13
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulina N. V., Petrakovskaya E. A., Fedorov A. S., Churilov G. N.
Заглавие : Synthesis and study of manganese-containing endohedral fullerenes
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 3. - P599-602. - ISSN 1063-7834, DOI 10.1134/S1063783407030377
Примечания : Cited References: 15
Предметные 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Balaev D. A., Yakushkin S. S., Dubrovskii A. A., Bukhtiyarova G. A., Shaikhutdinov K. A., Martyanov O. N.
Заглавие : Study of the high-coercivity material based on ε-Fe2O3 nanoparticles in the silica gel matrix
Место публикации : Tech. Phys. Lett.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 42, Is. 4. - P.347-350. - ISSN 10637850 (ISSN), DOI 10.1134/S1063785016040039
Примечания : 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).
Предметные 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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