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Zobov, V. E.
A Monte Carlo study of the dependence of the growth parameter for trees on the lattice dimension in the Eden model / V. E. Zobov, M. A. Popov // Theor. Math. Phys. - 2001. - Vol. 126, Is. 2. - P. 270-279, DOI 10.1023/A:1005260114182. - Cited References: 17 . - ISSN 0040-5779

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
DIFFUSION-LIMITED AGGREGATION
   BRANCHED POLYMERS
   HIGH-TEMPERATURES
   EXPANSION
   TIME
Аннотация: We use the Monte Carlo method to compute the number of trees with n edges in the Eden model on d-dimensional simple cubic lattices for d = 2, 3, 4, 6, 8, 10. We compare these numbers with the exact data derived by the enumeration method up to n = 12 on the square lattice and up to n = 10 on the cubic lattice. We find that for d greater than or equal to 3, the computed values of the growth parameter for trees agree with the values that we derived earlier by the expansion in inverse powers of 2d - 1.

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Держатели документа:
RAS, Siberian Branch, Kirenskii Phys Inst, Krasnoyarsk, Russia
Krasnoyarsk State Univ, Krasnoyarsk, Russia
ИФ СО РАН
Kirenskii Physics Institute, Siberian Branch, RAS, Krasnoyarsk, Russian Federation
Krasnoyarsk State University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Popov, M. A.; Зобов, Владимир Евгеньевич
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Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, 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), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
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Bias-current and optically driven transport properties of the hybrid Fe/SiO 2/p-Si structures / N. V. Volkov [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 526-529, DOI 10.4028/www.scientific.net/SSP.190.526 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Hybrid structure -- Mis transition -- Photoelectric effect -- Schottky barrier -- Channel switching -- Comparative analysis -- Electron hole pairs -- Fe films -- Fe layer -- Ferromagnetic films -- Hybrid structure -- Optical effects -- Optical radiations -- Photogeneration -- Planar geometries -- Schottky barriers -- Semiconductor substrate -- Temperature variation -- Critical currents -- Interfaces (materials) -- Magnetic materials -- Photoelectricity -- Schottky barrier diodes -- Silicon -- Switching circuits -- Transport properties
Аннотация: Pronounced optical- and bias-current-sensitive features of the transport properties of a Fe/SiO 2/p-Si hybrid structure in planar geometry at temperature variation are investigated. Comparative analysis of two Fe/SiO 2/p-Si samples, one with a continuous Fe film and the other with two electrodes formed from a Fe layer and separated by a micron gap, shows that these features are due to the MIS transition with a Schottky barrier near the interface between SiO 2 and p- Si. Resistance of such a MIS transition depends exponentially on temperature and bias. In the structure with a continuous ferromagnetic film, the competition between conductivities of the MIS transition and the Fe layer results in the effect of current channel switching between the Fe layer and a semiconductor substrate. Within certain limits, this process can be controlled by a bias current and optical radiation. The mechanism of the optical effect is photogeneration of electron-hole pairs in the semiconductor substrate near its boundary with SiO 2 layer. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Eremin, E. V.; Еремин, Евгений Владимирович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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Ryzhkov, I. I.
Convective stability of multicomponent fluids in the thermogravitational column / I. I. Ryzhkov, V. M. Shevtsova // Phys. Rev. E. - 2009. - Vol. 79, Is. 2. - Ст. 26308, DOI 10.1103/PhysRevE.79.026308. - Cited References: 26 . - ISSN 1539-3755

РУБ Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
THERMAL-DIFFUSION
   SORET COEFFICIENT
   MIXTURES
   SEPARATION
   LIQUID
Кл.слова (ненормированные):
convection -- density -- flow instability -- Galerkin method -- heat transfer -- mass transfer -- thermal diffusion -- Binary mixtures -- Fluids -- Galerkin methods -- Linear stability analysis -- Ternary systems -- Thermal diffusion -- Planes -- Binary fluids -- Convective stabilities -- Cross-diffusion effects -- Density stratifications -- Individual components -- Linear stabilities -- Longitudinal instabilities -- Longitudinal waves -- Multi-component fluids -- Separation ratios -- Soret effects -- Stability problems -- Temperature gradients -- Ternary fluids -- Ternary mixtures -- Thermal diffusion coefficients -- Transversal waves -- Vertical axis -- Vertical directions -- System stability
Аннотация: A comprehensive linear stability analysis of convection in the thermogravitational column is first performed for multicomponent fluids. Two types of perturbations are investigated: Longitudinal waves propagating in vertical direction of the column and transversal waves propagating perpendicular to the vertical axis and temperature gradient. The stability problems are reduced to those without cross-diffusion effect by a special transformation. The calculations are performed for binary and ternary mixtures by the Galerkin method. It is found that in binary fluids, the onset of longitudinal instability can be monotonic or oscillatory depending on the separation ratio, which characterizes the Soret effect. The difference between stability characteristics of binary and ternary fluids is associated with different diffusion times of components in a ternary system. It is shown that the mechanism of transversal instability is related to the unstable density stratification in the column (in total or due to individual components). The unstable stratification can only be realized in fluids with negative Soret effect. The analogue of exchange of stabilities principle for a plane column with a multicomponent fluid is proved. The obtained results indicate that the thermogravitational column can be used for measuring diffusion and thermal diffusion coefficients in ternary and higher mixtures with one or several components having negative Soret effect.

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Держатели документа:
[Ryzhkov, Ilya I.
Shevtsova, Valentina M.] Univ Libre Bruxelles, Dept Chem Phys, MRC, B-1050 Brussels, Belgium
[Ryzhkov, Ilya I.] Inst Computat Modelling SB RAS, Krasnoyarsk 660036, Russia
ИВМ СО РАН
MRC, Department of Chemical Physics, Universite Libre de Bruxelles, av. F.D. Roosevelt 50, B-1050 Brussels, Belgium
Institute of Computational Modelling, SB, RAS, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shevtsova, V. M.
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Coupled R and Fe magnetic excitations in RFe 3(BO 3) 4 multiferroics / A. M. Kuzmenko [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 269-272, DOI 10.4028/www.scientific.net/SSP.190.269 . - ISBN 9783037854365
Кл.слова (ненормированные):
Magnetic resonance -- Rare-earth iron borates -- Terahertz spectroscopy -- Antiferromagnetics -- Coupled mode -- Exchange coupled -- Frequency ranges -- G factors -- Iron borate -- Magnetic excitations -- Multiferroics -- Resonance mode -- Strong interaction -- Transmission spectrums -- Antiferromagnetism -- Electron transitions -- Gadolinium -- Ions -- Magnetic materials -- Magnetic permeability -- Magnetic resonance -- Terahertz spectroscopy -- Neodymium
Аннотация: Various resonance modes were observed in the transmission spectra of rare-earth iron borates RFe 3(BO 3) 4 (R = Nd 3+, Sm 3+, Gd 3+) at the frequency range 100-600 GHz, which were attributed to collective magnetic excitations in the exchange coupled Fe- and R-subsystems, i.e. antiferromagnetic (Fe) resonance and electron transitions in the R-ions. Strong interaction of the Fe and R oscillations was revealed and theoretically analyzed taking into account feature of the R-ion ground state. Intensities of the coupled modes (contributions to magnetic permeability) strongly depend on a difference of Fe and R ions g-factors that allows defining the sign of the latter. In particular, an appreciable intensity of exchange (Nd) modes in NdFe 3(BO 3) 4 is caused by g Nd?,|| < 0 whereas in GdFe 3(BO 3) 4 with gGd ? gFe ? 2 the exchange (Gd) modes were hided due to compensation of Fe and Gd contributions. In SmFe 3(BO 3) 4, despite a negligible Sm g-factor, the Sm modes were clear observed due to their excitation via coupling with the Fe-subsystem. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Kuzmenko, A. M.; Кузьменко А.М.; Mukhin, A. A.; Ivanov, V.Yu.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
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Kaptsov, O. V.
Differential constraints and exact solutions of nonlinear diffusion equations / O. V. Kaptsov, I. V. Verevkin // J. Phys. A. - 2003. - Vol. 36, Is. 5. - P. 1401-1414, DOI 10.1088/0305-4470/36/5/315. - Cited References: 29 . - ISSN 0305-4470

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
REDUCTION
Аннотация: The differential constraints are applied to obtain explicit solutions of nonlinear diffusion equations. Certain linear determining equations with parameters are used to find such differential constraints. They generalize the determining equations used in the search for classical Lie symmetries.

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Держатели документа:
RAS, Inst Comp Modeling, Krasnoyarsk 660036, Russia
ИВМ СО РАН
Institute of Computing Modeling, RAS, Academgorodok, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Verevkin, I. V.
}
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Diffusion of strontium in the intergranular boundaries of La2–xSrxCuO4 / A. A. Bykov, D. M. Gokhfeld, K. Y. Terent’ev [et al.] // Russ. J. Phys. Chem. A. - 2021. - Vol. 95, Is. 6. - P. 1165-1168, DOI 10.1134/S0036024421060066. - Cited References: 11. - This work was supported by the Russian Science Foundation, project no. 17-72-10067 . - ISSN 0036-0244
Кл.слова (ненормированные):
composites -- superconductivity -- diffusion -- grain boundaries -- diffusion front -- LSCO (La1.56Sr0.44CuO4)
Аннотация: Energy dispersive X-ray spectroscopy and scanning electron microscopy are used to study La2CuO4–La1.56Sr0.44CuO4 composites with different annealing times. Maps of the strontium distribution for such systems are calculated and compared to experimental data obtained for the area of contact between two dissimilar granules. The coefficient of lattice diffusion of strontium is found. At the areas of contact between La2CuO4 and La1.56Sr0.44CuO4 granules, the strontium concentration corresponds to superconducting phase La2−xSrxCuO4 with x = 0.05–0.25. The technological parameters of synthesis affect the size and number of superconducting and normal regions. Prolonged annealing lowers the gradient of the strontium concentration, which halts the increase in the size of the superconducting regions. This saturation confirms the diffusion front model.

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Публикация на русском языке Диффузия стронция в межгранульной границе La2−xSrxCuO4 [Текст] / А. А. Быков, Д. М. Гохфельд, К. Ю. Терентьев [и др.] // Журн. физ. химии. - 2021. - Т. 95 № 6. - С. 903-907

Держатели документа:
Petersburg Institute of Nuclear Physics, National Research Center Kurchatov Institute, Gatchina, 188300, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Bykov, A. A.; Gokhfeld, D. M.; Гохфельд, Денис Михайлович; Terent'ev, K. Yu.; Терентьев, Константин Юрьевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Petrov, M. I.; Петров, Михаил Иванович
}
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Effect of short antiferromagnetic correlations on the normal and superconducting properties in copper oxides / S. G. Ovchinnikov, M. M. Korshunov, E. I. Shneyder // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2011. - Vol. 168-169. - P561-566, DOI 10.4028/www.scientific.net/SSP.168-169.561 . - ISSN 1012-0394
Кл.слова (ненормированные):
high temperature superconductivity -- short range antiferromagnetic order -- strong electron correlations -- antiferromagnetic materials -- antiferromagnetism -- copper oxides -- electron correlations -- electron density measurement -- antiferromagnetism -- electron correlations -- ab initio -- antiferromagnetic correlations -- cuprates -- high-t -- high-temperature superconductivity -- hubbard -- low energies -- multiband model -- short range antiferromagnetic order -- strong electron correlations -- superconducting properties -- t-j models -- antiferromagnetic orderings -- superconductivity -- copper oxides -- high temperature superconductivity
Аннотация: The abnormal "normal" state and origin of high temperature superconductivity in cuprates are still not clear [1-2]. The strong electron correlations (SEC) are known to be one of the main difficulties for the theory of high- Tc cuprates. The conventional LDA (local density approximation) approach to the band structure fails in the regime of SEC. Various realistic multiband models of a CuO2 layer at low energy result in the effective Hubbard or t - J models [3-7]. The hybrid LDA+GTB scheme [8] generates the low-energy effective t - t? - t? - J* model with all parameters calculated ab initio.

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian Aerospace University, Krasnoyarsk, 660014, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, University of Florida, Gainesville, FL 32611, United States

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Shneyder, E. I.; Шнейдер, Елена Игоревна
}
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10.

Altunin, R. R.
Effect of the structural properties on the electrical resistivity of the Al/Ag thin films during the solid-state reaction / R. R. Altunin, E. T. Moiseenko, S. M. Zharkov // Phys. Solid State. - 2020. - Vol. 62, Is. 4. - P. 708-713, DOI 10.1134/S1063783420040034. - Cited References: 43. - This study was supported by the Russian Science Foundation, project no. 18-13-00080. . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
LIGHT-EMITTING-DIODES
   PHASE-FORMATION
   AG
   AL
   DIFFUSION
   SUPPRESSION
   INTERFACE
   SURFACE
   GROWTH
   HEAT
Кл.слова (ненормированные):
thin films -- phase formation -- Al/Ag -- solid-state reaction; -- electron diffraction -- resistivity
Аннотация: Based on the results of in situ electron diffraction study of the solid-state reaction and electrical resistivity measurements on the Al/Ag thin films with an atomic ratio of Al : Ag = 1 : 3, the temperature of the reaction onset has been established and a model of the structural phase transitions has been proposed. The solid-state reaction begins at 70°C with the formation of the Al–Ag solid solution at the interface between the aluminum and silver nanolayers. It has been found that, in the course of the reaction, the intermetallic compounds γ-Ag2Al → μ-Ag3Al are successively formed. It is shown that the possibility of the formation of the μ‑Ag3Al phase during the solid-state reaction in the Al/Ag thin films depends on the aluminum-to-silver ratio, while the formation of the μ-Ag3Al phase begins only after all fcc aluminum has reacted.

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Публикация на русском языке Алтунин Р. Р. Влияние структурных свойств на электросопротивление тонких пленок Al/Ag в процессе твердофазной реакции [Текст] / Р. Р. Алтунин, Е. Т. Моисеенко, С. М. Жарков // Физ. тверд. тела. - 2020. - Т. 62 Вып. 4. - С. 621-626

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Moiseenko, E. T.; Zharkov, S. M.; Жарков, Сергей Михайлович; Russian Science FoundationRussian Science Foundation (RSF) [18-13-00080]
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11.

Formation of ferromagnetic germanides by solid-state reactions in 20Ge/80Mn films / V. G. Myagkov [et al.] // Thin Solid Films. - 2014. - Vol. 552. - P. 86-91, DOI 10.1016/j.tsf.2013.12.029. - Cited References: 53 . - ISSN 0040-6090

РУБ Materials Science, Multidisciplinary + Materials Science, Coatings & Films + Physics, Applied + Physics, Condensed Matter
Рубрики:
PHASE-FORMATION
   MAGNETIC-PROPERTIES
   Mn5Ge3 FILMS
   X-RAY
   Ge(111)
   TRANSFORMATIONS
   DIFFUSION
   SPECTRA
   SYSTEM
   LAYERS
Кл.слова (ненормированные):
Manganite-germanium -- Solid state reaction -- First phase -- Mn5Ge3 alloy -- Carbon impurity -- Oxygen impurity -- Annealing -- Magnetic anisotropy
Аннотация: Solid state reactions between Ge and Mn films are systematically examined using X-ray diffraction, photoelectron spectroscopy, and magnetic and electrical measurements. The films have a nominal atomic ratio Ge:Mn = 20:80 and are investigated at temperatures from 50 to 500 °C. It is established that after annealing at ~ 120°C, the ferromagnetic Mn5Ge3 phase is the first phase to form at the 20Ge/80Mn interface. As the annealing temperature increases to 300°C, the weak magnetic Mn5Ge 2 + Mn3Ge phases simultaneously begin to grow and they become dominant at 400°C. Increasing the annealing temperature to 500°C leads to the formation of the ferromagnetic phase with a Curie temperature TC ~ 350-360 K and magnetization 14-25 kA/m at room temperature. The X-ray diffraction study of the samples shows the reflections from the Mn 5Ge3 phase, and the photoelectron spectra contain the oxygen and carbon peaks. The homogeneous distribution of oxygen and carbon over the sample thickness suggests that the increased Curie temperature and magnetization are related to the migration of C and O atoms into the Mn 5Ge3 lattice and the formation of the Nowotny phase Mn5Ge3CxOy. The initiation temperature (~ 120 C) is the same in the Mn5Ge3 phase with the solid-state reactions in the Ge/Mn films as well as in the phase separation in the GexMn1 - x diluted semiconductors. Thus, we conclude that the synthesis of the Mn5Ge3 phase is the moving force for the spinodal decomposition of the GexMn 1 - x diluted semiconductors.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Zhigalov, V. S.; Жигалов, Виктор Степанович; Matsynin, A. A.; Мацынин, Алексей Александрович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Mikhlin, Y. L.; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Patrin, G. S.; Патрин, Геннадий Семёнович; Yurkin, G. Yu.; Юркин, Глеб Юрьевич
}
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12.

Morozov, E. V.
From components to phase-dependent dynamics of diffusivity in wax solutions subjected to fluid-solid phase transition: Insights from Pulsed Field Gradient NMR / E. V. Morozov, P. V. Nizovtseva, O. N. Martyanov // Energy Fuels. - 2022. - Vol. 36, Is. 24. - P. 14696-14709, DOI 10.1021/acs.energyfuels.2c02943. - Cited References: 76. - The present research was performed with the financial support of the Russian Science Foundation (project no. 21-13-00171, http://rscf.ru/project/21-13-00171/) . - ISSN 0887-0624. - ISSN 1520-5029
Кл.слова (ненормированные):
Concentration ranges -- Crystal networks -- Diffusion components -- Fluid-solid phase transition -- N-dodecane -- Phase dependent -- Pulsed field gradient NMR -- Supplementary information -- Wax appearance temperature -- Wax crystals
Аннотация: The evolution of solvent and solute diffusivity during fluid-solid phase transition was studied in model wax in n-dodecane solutions in a wide concentration range. Studied systems were characterized using viscosity measurements to provide supplementary information related to wax precipitation onset, while diffusion coefficients of n-dodecane and paraffin molecules were quantified using Pulsed Field Gradient (PFG) NMR. It was revealed that above the wax appearance temperature (WAT), the Hayduk-Minhas equation adequately predicts the solute and solvent diffusivity. At lower temperatures (below the WAT), three distinct diffusive components appear, which no longer originate from individual molecular components but correspond to a liquid phase differing in terms of association to the wax crystal network. These diffusion components were concluded to contain dodecane and the residual dissolved wax; the major components among them correspond to fluid, which relatively freely diffuses between the wax microcrystals and experiences the hindrance due to the wax gel network, and the minor components correspond to the fluid closely associated with the wax crystals. Unlike at high temperatures, the Hayduk-Minhas equation was found to be unable to predict adequately the diffusivity below the WAT. Using Singh's approach, the aspect ratio of wax crystals was calculated for different temperatures and concentrations and its complex nonlinear behavior was observed. It turned out that none of the models available differentiate the fluids with respect to the wax crystal network that leaves out of modeling the diffusion components with reduced mobility. The results indicate that the intuitive paradigm of component-dependent dynamics of solvent and solute diffusivity should be changed to phase-dependent dynamics once the system turns into wax gel since the diffusion of separate components becomes the diffusion of separate phases. This understanding shows a new route to improving the wax deposition modeling, which will facilitate an increase of effectiveness of the remedial strategies in the petroleum industry.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Science Center, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsky Rabochy Ave. 31, Krasnoyarsk, 660037, Russian Federation
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Ak. Lavrentieva 5, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Nizovtseva, P. V.; Martyanov, O. N.; Морозов, Евгений Владимирович
}
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13.

Isotope velocity differentiation in thin carbon nanotubes through quantum diffusion / A. S. Fedorov [et al.] // Europhys. Lett. - 2003. - Vol. 63, Is. 2. - P. 254-260, DOI 10.1209/epl/i2003-00512-5. - Cited References: 17 . - ISSN 0295-5075

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-DYNAMICS
   TRANSITIONS
   TRANSPORT
   ENERGY
Аннотация: An approach is proposed to evaluate the average velocities of adsorbate molecules in one-dimensional nanopore, when quantum tunneling between neighboring potential minima leads to nonzero velocity. The approach is used to calculate the hydrogen isotope molecule (H-2, D-2, T-2) velocities in ultrathin carbon single-wall nanotubes (SWNT) (3, 3) and (6, 0). It is shown that the isotope mass difference leads to large differences of the quantum tunneling value and large differences of the average molecule velocities, especially inside the tube (6, 0). It is shown that different tube chirality leads to drastically different velocities of adsorbate molecules, even if the diameters of both nanotubes do not differ significantly.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenski Inst Phys, Krasnoyarsk 660036, Russia
Univ Vienna, Inst Mat Phys, Vienna, Austria
ИФ СО РАН
Kirenski Institute of Physics, Siberian Branch, Russian Academy of Science, Krasnoyarsk 660036, Russian Federation
Institut fur Materialphysik, Universitat Wien, Wien, Austria

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Kresse, G.
}
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14.

Local anisotropy and giant enhancement of local electromagnetic fields in fractal aggregates of metal nanoparticles / S. V. Karpov [et al.] // Phys. Rev. B. - 2005. - Vol. 72, Is. 20. - Ст. 205425, DOI 10.1103/PhysRevB.72.205425. - Cited References: 56 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
SMALL-PARTICLE COMPOSITES
   DIFFUSION-LIMITED AGGREGATION
   OPTICAL-PROPERTIES
   SELECTIVE PHOTOMODIFICATION
   NUMERICAL-SIMULATION
   DISORDERED CLUSTERS
   ABSORPTION-SPECTRUM
   PARTICULATE MATTER
   NONLINEAR OPTICS
   LIGHT-SCATTERING
Аннотация: We have shown within quasistatic approximation that the giant fluctuations of a local electromagnetic field in random fractal aggregates of silver nanospheres are strongly correlated with a local anisotropy factor S which is defined in this paper. The latter is a purely geometrical parameter which characterizes the deviation of local environment of a given nanosphere in an aggregate from spherical symmetry. Therefore, it is possible to predict the sites with anomalously large local fields in an aggregate without explicitly solving the electromagnetic problem. We have also demonstrated that the average (over nanospheres) value of S does not depend noticeably on the fractal dimension D, except when D approaches the trivial limit D=3. In this case, as one can expect, the average local environment becomes spherically symmetrical and S approaches zero. This corresponds to the well-known fact that in trivial aggregates, fluctuations of local electromagnetic fields are much weaker than in fractal aggregates. Thus, we find that, within the quasistatics, the large-scale geometry does not have a significant impact on local electromagnetic responses in nanoaggregates in a wide range of fractal dimensions. However, this prediction is expected not to be correct in aggregates which are sufficiently large for the intermediate- and radiation-zone interaction of individual nanospheres to become important.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Krasnoyarsk State Tech Univ, Dept Phys & Engn, Krasnoyarsk 660028, Russia
Univ Penn, Dept Radiol, Philadelphia, PA 19104 USA
Univ Penn, Dept Bioengn, Philadelphia, PA 19104 USA
ИФ СО РАН
L. V. Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036, Russian Federation
Department of Physics and Engineering, Krasnoyarsk State Technical University, Krasnoyarsk 660028, Russian Federation
Departments of Radiology and Bioengineering, University of Pennsylvania, Philadelphia, PA 19104, United States

Доп.точки доступа:
Karpov, S. V.; Карпов, Сергей Васильевич; Gerasimov, V. S.; Герасимов, Валерий Сергеевич; Isaev, I. L.; Исаев, Иван Леонидович; Markel, V. A.
}
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15.

Long-Range Chemical Interaction in Solid-State Synthesis: The Formation of a CuAu Alloy in Au/beta-Co(001)/Cu(001) Epitaxial Film Structures / V. G. Myagkov [et al.] // JETP Letters. - 2009. - Vol. 90, Is. 2. - P. 111-115, DOI 10.1134/S0021364009140069. - Cited References: 25. - This work was supported by Russian Foundation for Basic Research ( project no. 07-03-00190) and the Ministry of Education and Science of the Russian Federation ( program "Development of the Scientific Potential of Higher Education"). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
THIN-FILMS
   PHASE-TRANSITION
   DIFFUSION
   MICROSTRUCTURE
   INTERLAYER
   INTERFACE
   COSI2
   AU
Аннотация: The effect of an inert Co layer (0, 210, 480 nm) on the chemical interaction between Cu and Au in Au/beta-Co(001)/Cu(001) epitaxial films has been investigated by X-ray diffraction, nuclear magnetic resonance, photoelectron spectroscopy, and magnetic structure measurements. Mixing at interfaces in Cu/beta-Co(001) and Au/beta-Co(001) bilayer films has not been revealed up to a temperature of 600 C. The solid-state synthesis of ordered CuAu| and CuAu|| phases occurs through the Co inert buffer layer in Au/beta-Co(001)/Cu(001) trilayer film systems with an increase in the annealing temperature. The initiation temperatures of the CuAu| and CuAu|| phases increase only slightly with the thickness of the Co buffer layer. The assumption of the long range of the chemical interaction between Cu and Au through the chemically inert Co layer is justified using the performed investigations.

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Держатели документа:
[Myagkov, V. G.
Mal'tsev, V. K.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Mikhlin, Yu. N.
Bondarenko, G. N.] Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
[Bykova, L. E.] Siberian State Aerosp Univ, Krasnoyarsk, Russia
ИФ СО РАН
ИХХТ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian State Aerospace University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Mikhlin, Y. N.; Bykova, L. E.; Быкова, Людмила Евгеньевна; Mal'tsev, V. K.; Maltsev, V. K.; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Russian Foundation for Basic Research [07-03-00190]; Ministry of Education and Science of the Russian Federation
}
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16.

Long-range chemical interaction in solid-state synthesis: The Kirkendall effect and solid-state reactions in Cu/beta-CuZn and Cu/Fe/beta-CuZn film systems / V. G. Myagkov [et al.] // JETP Letters. - 2010. - Vol. 91, Is. 12. - P. 665-669, DOI 10.1134/S0021364010120106. - Cited References: 26. - We are grateful to Yu. L. Mikhlin for the measurements of the X-ray photoelectron spectra and for stimulating discussions. This work was supported by the Ministry of Education and Science of the Russian Federation (project no. 2.1.1/4399, program "Development of the Scientific Potential of Higher Education in 2009-2010"). . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
PHASE-FORMATION
DIFFUSION
Аннотация: The results of the experimental investigations of the solid-state reaction of Cu with beta brass, which is associated with the Kirkendall, in Cu/beta-CuZn and Cu/Fe/beta-CuZn film systems are reported. It has been shown that the initiation temperature of the solid-state synthesis of alpha brass at the Cu/beta-CuZn interface is about 200A degrees C. The chemically inert Fe barrier layers 420 and 850 nm in thickness between the Cu and beta-CuZn films do not suppress the solid-state synthesis of the alpha brass, but increase the initiation temperature to about 250A degrees C. This behavior indicates that the chemical interaction between the Cu and Zn atoms through the chemically inert Fe layer is long-range. The X-ray photoelectron investigations reveal the migration of Zn atoms from the beta-CuZn layer through the Fe barrier to the Cu layer. The results are interpreted under the assumption that the migration of Zn atoms in the Kirkendall is initiated by the strong chemical interaction between the Cu and Zn atoms in the Cu and beta-CuZn layers, which is due to the synthesis of alpha brass, rather than by the diffusion random walk, as is commonly accepted at present.

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Держатели документа:
[Myagkov, V. G.
Bondarenko, G. N.] Siberian State Aerosp Univ, Krasnoyarsk, Russia
[Bykova, L. E.
Bondarenko, G. V.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
[Bondarenko, G. N.] Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
ИХХТ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian State Aerospace University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Bykova, L. E.; Быкова, Людмила Евгеньевна; Bondarenko, G. N.; Бондаренко, Галина Николаевна; Bondarenko, G. V.; Бондаренко, Геннадий Васильевич
}
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17.

Long-range chemical interactions in solid-state reactions: effect of an inert Ag interlayer on the formation of L10-FePd in epitaxial Pd(0 0 1)/Ag(0 0 1)/Fe(0 0 1) and Fe(0 0 1)/Ag(0 0 1)/Pd(0 0 1) trilayers / V. G. Myagkov [et al.] // Philos. Mag. - 2014. - Vol. 94, Is. 23. - P. 2595-2622, DOI 10.1080/14786435.2014.926037. - Cited References: 117 . - ISSN 1478-6435. - ISSN 1478-6443

РУБ Materials Science, Multidisciplinary + Mechanics + Metallurgy & Metallurgical Engineering + Physics, Applied + Physics, Condensed Matter
Рубрики:
HIGH-TEMPERATURE SYNTHESIS
   THIN-FILMS
   PHASE-FORMATION
   MAGNETIC-PROPERTIES
   X-RAY
   MARTENSITIC TRANSFORMATIONS
   PHOTOELECTRON-SPECTROSCOPY
   STRUCTURAL CHARACTERISTICS
   CASIMIR FORCE
   GOLD-FILMS
Кл.слова (ненормированные):
Fe-Pd system -- epitaxial thin film -- inert Ag buffer layer -- diffusion -- solid-state reactions -- L1(0) -- long-range chemical interactions
Аннотация: The effect of 0, 0.5, and 1 μm-thick Ag interlayers on the chemical interaction between Pd and Fe in epitaxial Pd(0 0 1)/Ag(0 0 1)/Fe(0 0 1)/MgO(0 0 1) and Fe(0 0 1)/Ag(0 0 1)/Pd(0 0 1)/MgO(0 0 1) trilayers has been studied using X-ray diffraction, 57Fe Mössbauer spectroscopy, X-ray photoelectron spectroscopy, and magnetic structural measurements. No mixing of Pd and Fe occurs via the chemically inert Ag layer at annealing temperatures up to 400 °C. As the annealing temperature is increased above 400 °C, a solid-state synthesis of an ordered L10-FePd phase begins in the Pd(0 0 1)/Ag(0 0 1)/Fe(0 0 1) and Fe(0 0 1)/Ag(0 0 1)/Pd(0 0 1) film trilayers regardless of the thickness of the buffer Ag layer. In all samples, annealing above 500 °C leads to the formation of a disordered FexPd1−x(0 0 1) phase; however, in samples lacking the Ag layer, the synthesis of FexPd1−x is preceded by the formation of an ordered L12-FePd3 phase. An analysis of the X-ray photoelectron spectroscopy results shows that Pd is the dominant moving species in the reaction between Pd and Fe. According to the preliminary results, the 2.2 μm-thick Ag film does not prevent the synthesis of the L10-FePd phase and only slightly increases the phase’s initiation temperature. Data showing the ultra-fast transport of Pd atoms via thick inert Ag layers are interpreted as direct evidence of the long-range character of the chemical interaction between Pd and Fe. Thus, in the reaction state, Pd and Fe interact chemically even though the distance between them is about 104 times greater than an ordinary chemical bond length.

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Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Bayukov, O. A.; Баюков, Олег Артемьевич; Mikhlin, Y. L.; Михлин, Юрий Леонидович; Zhigalov, V. S.; Жигалов, Виктор Степанович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Bondarenko, G. N.; Бондаренко, Галина Николаевна
}
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18.

Magnetic properties and L1 0 phase formation in CoPt nanoparticles / S. V. Komogortsev [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 159-162, DOI 10.4028/www.scientific.net/SSP.190.159 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Hard magnetic -- Magnetic anisotropy -- Magnetic nanoparticles -- Remnant magnetization -- Annealing time -- CoPt nanoparticles -- Disorder-order -- Domain formation -- Hard magnetic -- Magnetic anisotropy energy -- Magnetic nanoparticles -- Phase formations -- Remnant magnetization -- Decomposition -- Magnetic anisotropy -- Magnetic materials -- Remanence -- Nanoparticles
Аннотация: The effect of the atomic disorder-order transformation on remanence, coercivity and magnetic anisotropy energy in CoPt nanoparticles prepared by thermal decomposition and annealed at 400oC for 4 and 16 hours has been studied. The observed remanence and magnetic anisotropy energy enhancement versus annealing time are discussed in the terms of ordering domain formation inside nanoparticles. В© (2012) Trans Tech Publications.

Scopus

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Chizhik, N. A.; Чижик Н.А.; Filatov, E. Yu.; Филатов Е.Ю.; Korenev, S. V.; Коренев С.В.; Shubin, Yu.V.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Yurkin, G.Yu.; Юркин, Глеб Юрьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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19.

Magnetic properties of nanostructured Co-based alloys produced by dynamic compaction and plasma spray deposition / L. Kuzovnikova [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 192-195, DOI 10.4028/www.scientific.net/SSP.190.192 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Bulk nanostructured materials -- Dynamic compaction -- Magnetic properties -- Plasma spray deposition -- Bulk nanostructured materials -- Co-based alloys -- Co-P alloy -- Dynamic compaction -- Ferromagnetic resonance linewidth -- Local magnetic anisotropy -- Magnetic characteristic -- Nano-structured -- Plasma spray deposition -- Compaction -- Magnetic materials -- Magnetic properties -- Plasma jets -- Plasma spraying -- Saturation magnetization -- Deposits
Аннотация: The bulk nanostructured Co-P alloys were prepared by dynamic compaction and a plasma spray deposition techniques. The magnetic characteristics, such as the saturation magnetization, M 0, the Bloch constant, B, the local magnetic anisotropy field, H a, the ferromagnetic resonance linewidth, ?H, the coercivity, H c, were investigated. A comparison between the magnetic properties of the Co-P alloys prepared by dynamic compaction and a plasma spray deposition techniques was carried out. В© (2012) Trans Tech Publications.

Scopus

Доп.точки доступа:
Kuzovnikova, L. A.; Кузовникова, Людмила Александровна; Denisova, E. A.; Денисова, Елена Александровна; Kuzovnikov, A. A.; Кузовников А.А.; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Lepeshev, A.
}
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20.

Demidov, A. A.
Magnetic properties of Nd 0.6Dy 0.4Fe 3(BO 3) 4 / A. A. Demidov, I. A. Gudim, E. V. Eremin // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 261-264, DOI 10.4028/www.scientific.net/SSP.190.261 . - ISBN 9783037854365
Кл.слова (ненормированные):
Multiferroics -- Phase transitions -- Rare-earth ferroborates RFe 3(BO 3) 4 -- Experimental data -- Magnetization curves -- Molecular field approximation -- Multiferroics -- Rare-earth ferroborates RFe -- Spin reorientation transitions -- Spin-flop transitions -- Substituted compounds -- Magnetic materials -- Magnetic properties -- Neodymium -- Phase transitions -- Dysprosium compounds
Аннотация: The magnetic properties of trigonal Nd 0.6Dy 0.4Fe 3(BO 3) 4 substituted compound with the competitive Nd-Fe and Dy-Fe exchange interactions have been investigated. It has been shown that in Nd 0.6Dy 0.4Fe 3(BO 3) 4a spontaneous spin-reorientation transition from an ease-axis state to an easy-plane occurs near 31 K. Anomalies of the magnetization curves are observed in a spin-flop transition induced by the magnetic field B||c. The calculations were performed using a molecularfield approximation and a crystal-field model for the rare-earth subsystem. Extensive experimental data on the magnetic properties of Nd 0.6Dy 0.4Fe 3(BO 3) 4have been interpreted and good agreement between theory and experiment has been achieved using the obtained theoretical dependences. В© (2012) Trans Tech Publications.

Scopus

Доп.точки доступа:
Gudim, I. A.; Гудим, Ирина Анатольевна; Eremin, E. V.; Еремин, Евгений Владимирович; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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