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1.
Инвентарный номер: нет.
   
   A 67


   
    Applications of the generalized gradient approximation to ferroelectric perovskites [] / S. Tinte, M. G. Stachiotti, C. O. Rodriguez, D. L. Novikov, N. E. Christensen // Physical Review B. - 1998. - V. 58, N 18. - С. 11959-11963 . - ISSN 0163-1829
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЕРРОЭЛЕКТРИКИ -- ПЕРОВСКИТЫ -- ФИЗИКО-ХИМИЧЕСКИЕ СВОЙСТВА -- СВОЙСТВА ФИЗИКО-ХИМИЧЕСКИЕ -- МАГНИТНЫЕ СВОЙСТВА -- СВОЙСТВА МАГНИТНЫЕ

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2.
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   B 22


   
    Band structure and the magnetic and elastic properties of SrFeO3 and LaFeO3 perovskites [Text] / I. R. Shein, K. I. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // Physics of the Solid State. - 2005. - Vol. 47, № 11. - P2082-2088. - Bibliogr. : p. 2087 (33 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИФЕРРАТ СТРОНЦИЯ -- ОКСИФЕРРАТ ЛАНТАНА -- ПЕРОВСКИТЫ -- АНТИФЕРРОМАГНЕТИКИ
Аннотация: The band structure and the magnetic and elastic characteristics of SrFeO3 and LaFeO3 perovskites with ferromagnetic and antiferromagnetic collinear spin configurations (of the A, C, and G types) are investigated using the ab initio pseudopotential method (the VASP program package) with the inclusion of the singlesite Coulomb correlations (the LSDA + U formalism). It is shown that, in the pressure range 0–50 GPa, the most stable states are the ferromagnetic metal state for the SrFeO3 compound and the antiferromagnetic insulator state of the G type for the LaFeO3 compound

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3.
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   Y 95


    Yuryeva, E. I.
    Charge states and hyperfine interaction parameters in perovskite SrFeO3 [Текст] / E. I. Yuryeva, V. L. Kozhevnikov, A. L. Ivanovskii // Journal of Structural Chemistry. - 2006. - Vol. 47, № 3. - С. 553-557. - Библиогр. : с. 557 (17 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЕРРИТ СТРОНЦИЯ -- ПЕРОВСКИТЫ -- ЭЛЕКТРОННАЯ СТРУКТУРНАЯ
Аннотация: The parameters of the electronic structure and hyperfine interactions in perovskite SrFeO3 were determined for different types of spin and charge states by ab initio discrete variations within the cluster model. The best agreement with experiment was achieved when the charge disproportionation effect {[Fe4+O6]8– +[Fe4+O6]8–} {[Fe3+O6]9– + [Fe5+O6]7–} was taken into account

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4.
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   C 91


   
    Crystal Structure and Magnetic State of the LaMn1 – xVxO3 Perovskites / A. E. Teplykh, A. N. Pirogov, A. Z. Men'shikov, G. V. Bazuev // Physics of the Solid State. - 2000. - Vol. 42, № 12. - P2241-2249 : il. - Bibliogr. : p. 2249 (16 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА -- МАГНЕТИЗМ -- ПЕРОВСКИТЫ -- МАНГАНИТЫ
Аннотация: The crystal structure and the magnetic state of polycrystalline LaMn1 – xVxO3 (0.1 < x < 0.9) compounds have been studied by x-ray and neutron diffraction methods, as well as by magnetization and ac susceptibility measurements. It is shown that substitution of vanadium for manganese ions leaves the orthorhombic crystal structure of the compounds (space group Pnma) unchanged. The magnetic structure is observed to&&change from a canted antiferromagnetic ordering (wavevector k = [0, 0, 0], with the antiferromagnetic moments aligned with the a axis and the ferromagnetic component of the magnetic moment parallel to the b axis) at vanadium concentrations x < 0.4 to a collinear antiferromagnetic ordering (with the magnetic moments parallel to the b axis) at x > 0.8; at this transition occurs through an intermediate state exhibiting spin-glass properties

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5.
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   N 30


    Naumovich, E. N.
    Defect formation in LaGa(Mg,Ni)O3-delta: A statistical thermodynamic analysis validated by mixed conductivity and magnetic susceptibility measurements [Текст] / E. N. Naumovich, V. V. Kharton, A. A. Yaremchenko, M. V. Patrakeev, D. G. Kellerman, D. I. Logvinovich, V. L. Kozhevnikov // Physical Review B: Condensed Matter and Materials Physics. - 2006. - Vol. 74, № 6. - С. 064105/1-064105/12. - Библиогр. : с. 064105/11 (55 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ -- ПРОВОДИМОСТЬ -- ГАЛЛАТ ЛАНТАНА -- ПЕРОВСКИТЫ
Аннотация: A statistical thermodynamic approach to analyze defect thermodynamics in strongly nonideal solid solutions was proposed and validated by a case study focused on the oxygen intercalation processes in mixed-conducting LaGa0.65Mg0.15Ni0.20O3−delta perovskite. The oxygen nonstoichiometry of Ni-doped lanthanum gallate, measured by coulometric titration and thermogravimetric analysis at 923–1223 K in the oxygen partial pressure range 5 10−5 to 0.9 atm, indicates the coexistence of Ni2+, Ni3+, and Ni4+ oxidation states. The formation of tetravalent nickel was also confirmed by the magnetic susceptibility data at 77–600 K, and by the analysis of p-type electronic conductivity and Seebeck coefficient as function of the oxygen pressure at 1023–1223 K. The oxygen thermodynamics and the partial ionic and hole conductivities are strongly affected by the pointdefect interactions, primarily the Coulombic repulsion between oxygen vacancies and/or electron holes and the vacancy association with Mg2+ cations. These factors can be analyzed by introducing the defect interaction energy in the concentration-dependent part of defect chemical potentials expressed by the discrete Fermi-Dirac distribution, and taking into account the probabilities of local configurations calculated via binomial distributions

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6.
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   D 30


   
    Defect interactions in La0.3Sr0.7Fe(M')O3-delta (M' = Al, Ga) perovskites: Atomistic simulations and analysis of p(O2)-T-delta diagrams [] = Defect interactions in La0.3Sr0.7Fe(M')O3-delta (M' = Al, Ga) perovskites: Atomistic simulations and analysis of p(O2)-T-delta diagrams / E. N. Naumovich, M. V. Patrakeev, V. V. Kharton, M. S. Islam, A. A. Yaremchenko, J. R. Frade, F. M. B. Marques // Solid State Ionics. - 2006. - V. 177, N 5-6. - С. 457-470. - Библиогр.: с. 469-470 (39 назв.) . - ISSN 0167-2738
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КИСЛОРОДНАЯ НЕСТЕХИОМЕТРИЯ -- НЕСТЕХИОМЕТРИЯ КИСЛОРОДНАЯ -- ДЕФЕКТЫ -- ФЕРРИТЫ -- ПЕРОВСКИТЫ -- МОДЕЛИРОВАНИЕ -- ТЕРМОДИНАМИКА -- ОКСИДЫ -- ЛЕГИРОВАНИЕ -- ДОБАВКИ
Аннотация: Atomistic modelling showed that a key factor affecting the p(O2) dependencies of point defect chemical potentials in perovskite-type La0.3Sr0.7Fe1-xM'xO3-delta (M' = Ga, Al; x = 0-0.4) under oxidizing conditions, relates to the coulombic repulsion between oxygen vacancies and/or electron holes. The configurations of A- and B-site cations with stable oxidation states have no essential influence on energetics of the mobile charge carriers, whereas the electrons formed due to iron disproportionation are expected to form defect pair clusters with oxygen vacancies. These results were used to develop thermodynamic models, adequately describing the p(O2)-T-delta diagrams of La0.3Sr0.7Fe(M')O3-delta determined by the coulometric titration technique at 923-1223 K in the oxygen partial pressure range from 1 x 10(-5) to 0.5 atm. The thermodynamic functions governing the oxygen intercalation process were found independent of the defect concentration.
Doping with aluminum and gallium leads to increasing oxygen deficiency and induces substantial changes in the behavior of iron cations, increasing the tendencies to disproportionation and hole localization. Despite similar oxygen nonstoichiometry in the Al- and Ga-substituted ferrites at a given dopant content, the latter tendency is more pronounced in the case of aluminum-containing perovskites

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7.
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   E 27


   
    Effect of Electron Correlations on the Electronic Structure and Magnetic Properties of the Perovskite-Like High Pressure Phase ErCu3V4O12 / M. V. Petrik, N. I. Medvedeva, N. I. Kadyrova, Yu. G. Zainulin, A. L. Ivanovskii // Physics of the Solid State. - 2010. - vol. 52, № 8. - P1709-1713 : il. - Bibliogr. : p. 1713 (22 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЕРОВСКИТЫ -- ЭЛЕКТРОННАЯ КОРРЕЛЯЦИЯ -- СТЕХИОМЕТРИЯ
Аннотация: The electronic structure and magnetic properties of double perovskite ErCu3V4O12 have been investigated in the framework of the projector augmented wave method. It has been shown that the electron correlations play an important role: the calculations in the one electron approximation predict that the ground state of ErCu3V4O12 is a magnetic metallic state, while with the inclusion of electron–electron correlations, it is a ferrimagnetic semimetallic state. It has been found that the magnetic Cu–Cu and V–V couplings are ferromagnetic and that the Cu–V magnetic coupling is antiferromagnetic

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8.
Инвентарный номер: нет.
   
   I-98


    Ivanovskii, A. L.
    Electronic properties of the Ti3AlN perovskite [Text] / A. L. Ivanovskii, N. I. Medvedeva, D. L. Novikov // Physics of the Solid State. - 1997. - Vol. 39, №6. - P929-931. - Библиогр. : с. 931 (11 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЭЛЕКТРОННЫЕ СВОЙСТВА -- ПЕРОВСКИТЫ -- ПЕРЕХОДНЫЕ МЕТАЛЛЫ -- НИТРИДЫ

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9.
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   E 43


   
    Electronic structure and magnetic properties of double perovskites Sr2FeMO6 (M = Sc, Ti, ..., Ni, Cu) according to the data of FLAPW-GGA band structure calculations / V. V. Bannikov, I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // Journal of Structural Chemistry. - 2008. - Vol. 49, № 5. - P781-787 : il. - Bibliogr. : p. 786-787 (23 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
Sr2FeMO6 -- ДВОЙНЫЕ ПЕРОВСКИТЫ -- МАГНЕТИЗМ -- МОДЕЛИРОВАНИЕ
Аннотация: Changes in the electronic structure and magnetic characteristics of Sr2FeMO6 double perovskites were studied by the FLAPW-GGA ab initio band structure method in relation to the type of the cation M = Sc, Ti, ..., Ni, Cu

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10.
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   E 43


   
    Electronic structure of perovskite related La2CuSnO6 [] / D. L. Novikov, A. J. Freeman, K. R. Poeppelmeier, V. P. Zhukov // Physica C. - 1995. - V. 252, N 1-2. - С. 7-12 . - ISSN 0921-4534
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СТРУКТУРА ЭЛЕКТРОННАЯ -- ЭЛЕКТРОННАЯ СТРУКТУРА -- ПЕРОВСКИТЫ -- La2CuSnO6 -- СВЕРХПРОВОДИМОСТЬ -- ЛЕГИРОВАНИЕ -- ЗОННАЯ СТРУКТУРА -- СТРУКТУРА ЗОННАЯ -- КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА -- СТРУКТУРА КРИСТАЛЛИЧЕСКАЯ -- ДЕФОРМАЦИИ -- La -- Cu -- Sn -- ЛАНТАН -- МЕДЬ -- ОЛОВО
Аннотация: Рассчитана зонная структура La2CuSnO6 в реальной и идеальной кристаллических структурах. Обсуждена природа деформации решетки и путь перевода в сверхпроводящее состояние путем легирования. Сделан вывод, что температура перехода в сверхпроводящее состояние не должна быть высокой

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11.
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   S 53


    Shein, I. R.
    First principle prediction of vacancy-induced magnetism in non-magneticperovskite SrTiO3 / I. R. Shein, A. L. Ivanovskii // Physics Letters A. - 2007. - Vol. 371. - P. 155-159 : il. - Bibliogr. : p. 159 (32 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ВАКАНСИИ РЕШЕТОК -- СТРУКТУРА ЭЛЕКТРОННАЯ -- МАГНЕТИЗМ -- ПЕРОВСКИТЫ -- SrTiO3
Аннотация: A theoretical study of magnetization in non-magnetic cubic perovskite SrTiO3 induced by vacancies in Sr, Ti and oxygen sublattices is presented using the full-potential linear augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) for the exchange correlation potential. The results show that the oxygen and titanium vacancies lead to the magnetization of non-magnetic perovskite SrTiO3 due to the spin-polarization of valence states for the Ti and O atoms, nearest to these vacancies. In result the insulating SrTiO3 becomes metallic-like with magnetic moments (per cell) 1.30 мB and 3.54 мB for non-stoichiometric SrTiO3.д and SrTi1-deltaO, respectively. On the contrary, our calculations reveal that for Sr vacancy the non-magnetic state of perovskite is retained, whereas the electronic spectrum of Sr1-deltaTiO3 also adopts metallic-like type

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12.
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   S 53


    Shein, I. R.
    First-principles calculations of the elastic and electronic properties of the cubic perovskites SrMO3 (M = Ti, V, Zr and Nb) in comparison with SrSnO3 [Text] / I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // Solid State Sciences. - 2008. - Vol. 10, № 2. - P217-225. - Bibliogr. : p. 224-225 (62 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЕРОВСКИТЫ -- УПРУГОСТЬ -- КЕРАМИКА ПОЛИКРИСТАЛЛИЧЕСКАЯ -- СТРОНЦИЙ
Аннотация: We have performed accurate ab initio total energy calculations using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential to investigate the systematic trends for structural, elastic and electronic properties of cubic SrMO3 perovskites’ family depending on the type of M cations (d0: Ti, Zr, d1: V, Nb and p: Sn). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline SrMO3 ceramics (in framework of the VoigteReusseHill approximation) are performed

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13.
Инвентарный номер: нет.
   
   I-61


   
    Inhomogeneous State of the Electron System in BaPb1 – xSbxO3 Superconducting Perovskites: The 207Pb NMR Study / A. F. Sadykov, Yu. V. Piskunov, V. V. Ogloblichev, I. Yu. Arapova, A. P. Gerashchenko, A. L. Buzlukov, S. V. Verkhovskii, I. A. Leonidov // JETP Letters. - 2010. - Vol. 91, № 5. - P245-250 : il. - Bibliogr. : p. 249-250 (31 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЕРОВСКИТЫ -- СВИНЕЦ -- СВЕРХПРОВОДИМОСТЬ
Аннотация: Comprehensive measurements of the 207Pb NMR spectra, Knight shifts 207Ks, spin–lattice relaxation rate, and the Pb spin echo decay 207E(2t) in BaPb1 – xSbxO3 superconducting oxides (x ≤ 0.33) have been performed. A considerable increase in the shift distribution width when Sb is substituted for Pb indicates the formation of the inhomogeneous state of the electron system in the oxide conduction band. The shift magnitude proportional to the density of states near the Fermi energy, 207Ks ∝ N(EF), reaches its maximum in the compounds with x = 0.18–0.25 with the maximum temperatures Tc of the superconducting transition. In the BaPb1 – xSbxO3 compounds, the Korringa relation is met, indicating that all of the samples are in the metal phase. The data on the Pb spin echo decay and the relevant estimates of the indirect coupling constants of the nuclei of the nearest neighbor Pb atoms clearly demonstrate the development of the electron system state in the oxide metal phase, which is microscopically inhomogeneous over the crystal

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14.
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   M 17


   
    Magnetic Properties and Electronic Structure of the LaGaO3 Perovskite Doped with Nickel / N. V. Chezhina, E. V. Bodritskaya, N. A. Zhuk, V. V. Bannikov, I. R. Shein, A. L. Ivanovskii // Physics of the Solid State. - 2008. - Vol. 50, № 11. - P2121-2126 : il. - Bibliogr. : p. 2126 (15 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТВЕРДЫЕ РАСТВОРЫ -- ПЕРОВСКИТЫ -- ДОПИРОВАНИЕ -- НИКЕЛЬ -- ГАЛЛАТ ЛАНТАНА
Аннотация: Solid solutions of the composition LaGa1 –xNixO3(0.01<=x<=0.10) are synthesized, and their magnetic and electrical properties are investigated. It is established that the ground state of the Ni(III) atoms is the low-spin state 2Eg; however, in the temperature range under investigation, there occurs the2Eg ->4T1g spin equilibrium. An increase in the nickel concentration leads to an increase in the electron conduction of the solid solutions. The band structure of the LaGa0.5Ni0.5O3 model compound is calculated using the ab initio fullpotential linearized augmented-plane-wave method within the generalized gradient approximation (FLAPWGGA).It is shown that the dominant role in the variations observed in the magnetic and electrical properties of the nonmagnetic semiconductor LaGaO3 upon doping with nickel is played by the Ni 3d(eg ) states

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15.
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   M 17


   
    Magnetism without magnetic ions in non-magnetic perovskites SrTiO3, SrZrO3 and SrSnO3 [Text] / V. V. Bannikov, I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // Journal of Magnetism and Magnetic Materials. - 2008. - Vol. 320, № 6. - P936-942. - Bibliogr. : p. 941-942 (46 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЕРОВСКИТЫ -- МАГНЕТИЗМ -- ПЕРВОПРИНЦИПНЫЕ РАСЧЕТЫ
Аннотация: Using the full-potential linearized augmented plane-wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential, we studied spin polarization induced by replacement of oxygen atoms by non-magnetic 2p impurities (B, C and N) in non-magnetic cubic SrMO3 perovskites, where M ¼ Ti, Zr and Sn. The results show that the magnetization may appear because of the spin–split impurity bands inside the energy gap of the insulating SrMO3 matrix. Large magnetic moments are found for the impurity centers. Smaller magnetic moments are induced on the oxygen atoms around impurities. It is shown that SrTiO3:C and SrSnO3:C should be magnetic semiconductors while other compounds in this series (SrTiO3:B, SrTiO3:N and SrZrO3:C) are expected to exhibit magnetic half-metallic or pseudo-half-metallic properties

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16.
Инвентарный номер: нет.
   
   M 76


   
    Mixed conductivity, stability and thermomechanical properties of Ni-doped La(Ga, Mg)O3-delta [] = Mixed conductivity, stability and thermomechanical properties of Ni-doped La(Ga, Mg)O3-delta / A. A. Yaremchenko, V. V. Kharton, E. N. Naumovich, D. I. Shestakov, V. F. Chukharev, A. V. Kovalevsky, A. L. Shaula, M. V. Patrakeev, J. R. Frade, F. M. B. Marques // Solid State Ionics. - 2006. - V. 177, N 5-6. - С. 549-558. - Библиогр.: с. 558 (45 назв.) . - ISSN 0167-2738
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ГАЛЛАТОНИКЕЛАТЫ ЛАНТАНА -- СМЕШАННЫЕ ПРОВОДНИКИ -- ПРОВОДНИКИ СМЕШАННЫЕ -- ПЕРОВСКИТЫ -- РАВНОВЕСИЕ ФАЗОВОЕ -- ФАЗОВОЕ РАВНОВЕСИЕ -- СВОЙСТВА ТЕРМОМЕХАНИЧЕСКИЕ -- ТЕРМОМЕХАНИЧЕСКИЕ СВОЙСТВА
Аннотация: Perovskite-type LaGa0.65Mg0.15Ni0.20O3-delta exhibiting oxygen transport comparable to that in K2NiF4-type nickelates was characterized as a model material for ceramic membrane reactors, employing mechanical tests, dilatometry, oxygen permeability and faradaic efficiency measurements, thermogravimetry (TG), and determination of the total conductivity and Seebeck coefficient in the oxygen partial pressure range from 10(-15) Pa to 40 kPa. Within the phase stability domain which is similar to La2NiO4+delta, the defect chemistry of LaGa0.65Mg0.15Ni0.20O3-delta can be adequately described by the ideal solution model with oxygen vacancies and electron holes to be the only mobile defects, assuming that Ni(2+) may provide two energetically equivalent sites for hole location. This assumption is in agreement with the density of states, estimated from thermopower, and the coulometric titration and TG data suggesting Ni(4+) formation in air at T < 1150 K. The hole conductivity
prevailing under oxidizing conditions occurs via small-polaron mechanism as indicated by relatively low, temperature-activated mobility. The ionic transport increases with vacancy concentration on reducing p(O2) and becomes dominant at oxygen pressures below 10(-7)-10(-5) Pa. The average thermal expansion coefficients in air are 11.9 x 10(-6) and 18.4 x 10(-6) K(-1) at 370-850 and 850-1270 K, respectively. The chemical strain of LaGa0.65Mg0.15Ni0.20O3-delta ceramics at 1073-1123 K, induced by the oxygen partial pressure variations, is substantially lower compared to perovskite ferrites. The flexural strength determined by 3-point and 4-point bending tests is 167-189 MPa at room temperature and 85-97 MPa at 773-1173 K. The mechanical properties are almost independent of temperature and oxygen pressure at p(O2) = 1-2.1 x 10(4) Pa and 773-1173 K

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17.
Инвентарный номер: нет.
   
   S 53


    Shein, I. R.
    New half-metallic ferromagnets. Double perovskites Sr(FeM)O3 (M = Sn, Ti, Zr) [Текст] / I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // JETP Letters. - 2005. - Vol. 82, № 4. - С. 220-223. - Библиогр. : с. 223 (11 назв.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЕРРОМАГНЕТИКИ -- ПЕРОВСКИТЫ
Аннотация: In calculations using the local spin density approximation, a new group of half-metallic ferromagnets is predicted. This group comprises double perovskites Sr2FeSnO6, Sr2FeTiO6, and Sr2FeZrO6—systems with one type of magnetic ions that can be obtained by diluting the magnetic sublattice of SrFeO3 with ions of nonmagnetic pn and d0 metals

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18.
Инвентарный номер: нет.
   
   N 52


   
    New Oxide Phases Ln2-xSr1+xCuMnO6.5 (Ln = Pr, Nd): Synthesis and Magnetic Properties / T. I. Chupakhina, N. A. Zaitseva, G. V. Bazuev, L. V. Zolotukhina, E. V. Zabolotskaya // Russian Journal of Inorganic Chemistry. - 2007. - Vol. 52, № 7. - P985-990 : il. - Bibliogr. : p. 990 (20 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИД МАРГАНЦА -- ПЕРОВСКИТЫ -- МАГНИТНЫЕ СВОЙСТВА
Аннотация: New compounds Pr1.5Sr1.5CuMnO 6.5 and Nd1.5Sr1.5CuMnO6.5 with an An+1BnO3n+1(n= 2) structure have been synthesized. The magnetic susceptibility of both compounds follows the Curie–Weiss law above 300 K. Bellow this temperature, ESR detects the local ferromagnetic ordering of magnetic ion pairs

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19.
Инвентарный номер: нет.
   
   O-97


   
    Oxygen Nonstoichiometry and the Thermodynamic and Structural Properties of Double Perovskites PrBaCo2-xCuxO5+δ / A. Yu. Suntsov, I. A. Leonidov, A. A. Markov, M. V. Patrakeev, Ya. N. Blinovskov, V. L. Kozhevnikov // Russian Journal of Physical Chemistry A. - 2009. - Vol. 83, № 5. - P832-838 : il. - Bibliogr. : p. 838 (11 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕСТЕХИОМЕТРИЯ -- ДВОЙНЫЕ ПЕРОВСКИТЫ -- РЗМ -- БАРИЙ
Аннотация: The special features of the structure, electrophysical properties, and oxygen nonstoichiometry of new double perovskites PrBaCo2 –xCuxO5 +δ were studied. Within the homogeneity region with respect to copper 0
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20.
Инвентарный номер: нет.
   
   O-97


   
    Oxygen Nonstoichiometry, Conductivity, and Seebeck Coefficient of La0.3Sr0.7Fe1-xGaxO2.65+delta Perovskites [] / M. V. Patrakeev, E. B. Mitberg, A. A. Lakhtin, I. A. Leonidov, V. L. Kozhevnikov, V. V. Kharton, M. Avdeev, M. B. Marques // Journal of Solid State Chemistry. - 2002. - V. 167, N 1. - С. 203-213 . - ISSN 0022-4596
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ПЕРОВСКИТЫ -- ОКСИДНАЯ НЕСТЕХИОМЕТРИЯ -- НЕСТЕХИОМЕТРИЯ ОКСИДНАЯ -- ОКСИДНАЯ ТЕРМОДИНАМИКА -- ТЕРМОДИНАМИКА ОКСИДНАЯ -- ЭЛЕКТРОННО-ДЫРОЧНАЯ ПРОВОДИМОСТЬ -- Ga -- ГАЛЛИЙ -- ЛЕГИРОВННЫЕ ФЕРРИТЫ -- ФЕРРИТЫ ЛЕГИРОВАННЫЕ -- ЭНТАЛЬПИЯ -- ЭНТРОПИЯ
Аннотация: The total electrical conductivity and the Seebeck coefficient of perovskite phases La0.3Sr0.7Fe1-xGaxO2.65+delta (x = 0-0.4) were determined as functions of oxygen nonstoichiometry in the temperature range 650-950°C at oxygen partial pressures varying from 10-4 to 0.5 atm. Doping with gallium was found to decrease oxygen content, p-type electronic conduction and mobility of electron holes. The results on the oxygen nonstoichiometry and electrical properties clearly show that the role of gallium cations in the lattice is not passive, as it could be expected from the constant oxidation state of Ga3+. The nonstoichiometry dependencies of the partial molar enthalpy and entropy of oxygen in La0.3Sr0.7(Fe,Ga)O2.65+delta are indicative of local inhomogeneities, such as local lattice distortions or defect clusters, induced by gallium incorporation. Due to B-site cation disorder, this effect may be responsible for suppressing long-range ordering of oxygen vacancies and for enhanced st
ability of the perovskite phases at low oxygen pressures, confirmed by high-temperature X-ray diffraction and Seebeck coefficient data. The values of the electron-hole mobility in La0.3Sr0.7(Fe,Ga)O2.65+delta, which increases with temperature, suggest a small-polaron conduction mechanism

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