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The calculation of the complete sum of residues relative to a polynomial mapping in CN / A. P. Iuzhakov // Doklady Akademii Nauk. - 1984. - Vol. 275, Is. 4. - P. 817-820. - Cited References: 9 . - ISSN 0002-3264

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Держатели документа:
L.V. Kirensky Inst. Phys., Siberian Branch, USSR Acad. Sci., Krasnoyarsk, Russia

Доп.точки доступа:
Iuzhakov, A. P.
}
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LOGINOV, V. M.
ON THE CALCULATION OF FUNCTIONALS FROM WIENER-PROCESSES / V. M. LOGINOV // Phys. Lett. A. - 1985. - Vol. 109, Is. 8. - P. 374-376, DOI 10.1016/0375-9601(85)90077-5. - Cited References: 10 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary

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AIZENBERG, L. A.
CALCULATION EXPERIMENT ON THE HIGH-RESOLUTION OF PHYSICAL DEVICES BY THE EXTRAPOLATION OF THE FOURIER SPECTRUM OF UNIDIMENSIONAL FINITE SIGNALS / L. A. AIZENBERG, B. A. KRAVTSOV // Pisma Zhurnal Tek. Fiz. - 1987. - Vol. 13, Is. 19. - P. 1193-1197. - Cited References: 6 . - ISSN 0320-0116

РУБ Physics, Applied

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Доп.точки доступа:
KRAVTSOV, B. A.
}
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ZAMKOVA, N. G.
CALCULATION OF BX4 INTERACTION CONSTANTS IN K2SO4-TYPE CRYSTALS / N. G. ZAMKOVA, V. I. ZINENKO // Fiz. Tverd. Tela. - 1992. - Vol. 34, Is. 9. - P. 2735-2747. - Cited References: 29 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
SUCCESSIVE PHASE-TRANSITIONS
K2COBR4
K2SEO4

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Доп.точки доступа:
ZINENKO, V. I.
}
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ZINENKO, V. I.
CALCULATION OF LONG-WAVELENGTH PHONON FREQUENCIES, OF DIELECTRIC PERMITTIVITY, AND B1-B2 PHASE-TRANSITIONS IN ALKALI-METAL HYDRIDES BY THE DENSITY-FUNCTIONAL TECHNIQUE / V. I. ZINENKO, A. S. FEDOROV // Fiz. Tverd. Tela. - 1994. - Vol. 36, Is. 5. - P. 1357-1365. - Cited References: 17 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
PRESSURE
ENERGY

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Доп.точки доступа:
FEDOROV, A. S.
}
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Korshunov, M. A.
Calculation of the energy of admixture migration in paradibromobenzene-paradichlorobenzene mixed crystals due to low concentrations / M. A. Korshunov, V. F. Shabanov // Fiz. Tverd. Tela. - 1995. - Vol. 37, Is. 11. - P. 3505-3509. - Cited References: 11 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Доп.точки доступа:
Shabanov, V. F.; Шабанов, Василий Филиппович; Коршунов, Михаил Анатольевич
}
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SHABANOV, V. F.
CALCULATION OF MIGRATION ENERGIES AND VACANCY GENERATION IN PARADIBROMOBENZENE AND PARADICHLOROBENZENE OF ALPHA-MODIFICATIONS AND BETA-MODIFICATIONS / V. F. SHABANOV, M. A. KORSHUNOV // Fiz. Tverd. Tela. - 1995. - Vol. 37, Is. 3. - P. 745-747. - Cited References: 10 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Доп.точки доступа:
KORSHUNOV, M. A.
}
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Aleksandrov, K. S.
Calculation of elastic constants of quasi-isotropic monomineral rocks / K. S. Aleksandrov, P. P. Turchin, G. T. Prodaivoda // Izvestiya - Physics of the Solid Earth. - 1999. - Vol. 35, Is. 4. - P. 282-290 . - ISSN 1069-3513
Аннотация: The causes of noninvariance of the elastic modulus matrix determinant for cubic crystals were studied. It was shown that modified elastic constant matrices comply with the symmetry requirements. The higher invariants of such matrices were used to evaluate the average values of elastic properties of isotropic polycrystals. The means of the elastic constants were calculated for a series of monomineral rocks composed of homogeneous crystallites of various syngonies and were compared with results of other averaging methods and with available experimental data.

Scopus

Держатели документа:
Krasnoyarsk University, Svobodnyi prospekt 79, Krasnoyarsk, 660041, Russian Federation
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Kiev University, Vasil'kovskaya ul. 90, Kiev, 252022, Ukraine

Доп.точки доступа:
Turchin, P. P.; Prodaivoda, G. T.; Продайвода, Георгий Трофимович; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Calculation of elastic constants of quasiisotropic monomineral rocks / K. S. Aleksandrov, P. P. Turchin, G. T. Prodaivoda // Fiz. Zemli. - 1999. - Is. 3-4. - P. A32-A40. - Cited References: 20 . - ISSN 0002-3337

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Публикация на русском языке Александров, Кирилл Сергеевич. Вычисление упругих констант квазиизотропных мономинеральных пород [Текст] / К. С. Александров, П. П. Турчин, Г. Т. Продайвода // Физика Земли. - 1999. - № 4. - С. 32-40

Держатели документа:
Krasnoyarsk State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Kiev State Univ, UA-252022 Kiev, Ukraine
ИФ СО РАН

Доп.точки доступа:
Turchin, P. P.; Турчин, Павел Петрович; Prodaivoda, G. T.; Продайвода, Георгий Трофимович; Александров, Кирилл Сергеевич
}
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10.

Nesterov, A. I.
Magnetic monopoles with generalized quantization condition / A. I. Nesterov, F. A. de la Cruz // Phys. Lett. A. - 2002. - Vol. 302, Is. 5-6. - P. 253-260, DOI 10.1016/S0375-9601(02)01172-6. - Cited References: 33 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary
Рубрики:
QUANTUM-MECHANICS
   DIRAC MONOPOLE
   3-COCYCLE
   SPACE
Кл.слова (ненормированные):
monopole -- nonunitary representations -- nonassociativity -- gauge loop -- quasigroups -- Gauge loop -- Monopole -- Nonassociativity -- Nonunitary representations -- Quasigroups -- article -- calculation -- magnetic field -- mathematics -- quantum mechanics -- rotation -- theory
Аннотация: Theory of pointlike magnetic monopole with an arbitrary magnetic charge is considered. It is shown that a proper description requires making use of nonunitary representations of the rotation group and the nonassociative generalization of the gauge group and fibre bundle theory. (C) 2002 Elsevier Science B.V. All rights reserved.

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Держатели документа:
Univ Guadalajara, Dept Fis, CUCEI, Guadalajara 44420, Jalisco, Mexico
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Univ Guanajuato, Inst Fis, Guanajuato, Mexico
ИФ СО РАН
Departamento de Fisica, CUCEI, Universidad de Guadalajara, Av. Revolucion 1500, Guadalajara, CP 44420, Jalisco, Mexico
L.V. Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Instituto de Fisica, Universidad de Guanajuato, Leon, Guanajuato, Mexico

Доп.точки доступа:
de la Cruz, F. A.
}
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11.

Parameters of the effective singlet-triplet model for band structure of high-T-c cuprates by alternative approaches / M. M. Korshunov [et al.] // J. Exp. Theor. Phys. - 2004. - Vol. 99, Is. 3. - P. 559-565, DOI 10.1134/1.1809685. - Cited References: 48 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
DENSITY-FUNCTIONAL CALCULATION
   TIGHT-BINDING METHOD
   COPPER OXIDES
   ENERGY-BANDS
   SUPERCONDUCTORS
   HOLE
   LA2-XSRXCUO4
   PLANE
   SR2CUO2CL2
   INSULATORS
Кл.слова (ненормированные):
Band structure -- Carbon dioxide lasers -- Copper oxides -- Doping (additives) -- Parameter estimation -- Electron systems -- Generalized tight binding (GTB) -- Parameters extraction -- Singlet triplet model -- Technetium compounds
Аннотация: We consider the problem of determining the parameters for high-T-c superconducting copper oxides. Alternative approaches, the ab initio LDA and LDA + U calculations and the generalized tight-binding (GTB) method for strongly correlated electron systems, are used to calculate hopping and exchange parameters of the effective singlet-triplet model for the CuO2 layer. The resulting parameters are in remarkably good agreement with each other and with parameters extracted from experiment. This set of parameters is proposed for proper quantitative description of the physics of hole-doped high-T-c cuprates in the framework of effective models. (C) 2004 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Institute of Metal Physics, Ural Division, Russian Academy of Sciences, Ekaterinburg, 620219, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Pchelkina, Z. V.; Nekrasov, I. A.; Korotin, M. A.; Anisimov, V. I.
}
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12.

Zinenko, V. I.
The nonempirical calculation of the cation ordering and lattice dynamics in the solid solutions of PbSc1/2Nb1/2O3 and PbSc1/2Ta1/2O3 / V. I. Zinenko, S. N. Sofronova ; ed.: A Kaplyanskii, A Akimov, Akimov, // 11th International Conference on Phonon Scattering in Condensed Matter (PHONONS 2004) (JUL 25-30, 2004, St Petersburg, RUSSIA) : WILEY-V C H VERLAG GMBH, 2004. - P. 3047-3051, DOI 10.1002/pssc.200405286. - Cited References: 10 . - ISBN 3-527-40588-7

РУБ Physics, Condensed Matter

Аннотация: An effective Hamiltonian for the study of Sc-Nb(Ta) cation ordering in PbSc1/2Nb(Ta)(1/2)O-3 solid solutions is written out. To determine the parameters of the effective Hamiltonian, a nonempirical calculation is performed within an ionic-crystal model taking into account the deformation, dipole and quadrupole polarizabilities of ions. The phase transition temperatures are calculated by mean field, cluster approximations and Monte-Carlo method. Within the same ionic-crystal model, we calculated the high-frequency permittivity, Born dynamic charges, and the phonon spectrum for a completely disordered and ordered phases. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Akademgorokok, Russia
ИФ СО РАН

Доп.точки доступа:
Sofronova, S. N.; Софронова, Светлана Николаевна; Зиненко, Виктор Иванович
}
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13.

Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems / M. M. Korshunov [et al.] // Phys. Rev. B. - 2005. - Vol. 72, Is. 16. - Ст. 165104, DOI 10.1103/PhysRevB.72.165104. - Cited References: 82 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   DENSITY-FUNCTIONAL CALCULATION
   NARROW ENERGY BANDS
   MEAN-FIELD THEORY
   COULOMB INTERACTIONS
   FERMION SYSTEMS
   COPPER OXIDES
   SUPERCONDUCTORS
   LA2-XSRXCUO4
   OXYGEN
Аннотация: A hybrid scheme for the electronic structure calculations of strongly correlated electron systems is proposed. The ab initio local density approximation calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within multiband Hubbard model is calculated by the generalized tight-binding method, which combines the exact diagonalization of the model Hamiltonian for a small cluster (unit cell) with perturbation treatment of the intercluster hopping and interactions. For undoped La2CuO4 and Nd2CuO4 this scheme results in charge transfer insulators with correct values of gaps and dispersions of bands in agreement with the angle-resolved photoemission data.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620219 Yekaterinburg GSP-170, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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14.

Ignatchenko, V. A.
Exchange narrowing of magnetic resonance linewidths in inhomogeneous ferromagnets / V. A. Ignatchenko, V. A. Felk // Phys. Rev. B. - 2005. - Vol. 71, Is. 9. - Ст. 94417, DOI 10.1103/PhysRevB.71.094417. - Cited References: 32 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
AMORPHOUS FERROMAGNETS
   RANDOM ANISOTROPY
   NANOCRYSTALLINE
   CRYSTALS
   ALLOYS
Кл.слова (ненормированные):
ferromagnetic material -- anisotropy -- article -- calculation -- correlation analysis -- crystal structure -- magnetism -- mathematical analysis -- nanotechnology -- nuclear magnetic resonance
Аннотация: The theory of exchange narrowing of ferromagnetic and spin-wave resonance linewidths in ferromagnets with the randomly inhomogeneous magnetic anisotropy is developed. The calculation is carried out by the method of averaged Green functions in the framework of the coherent potential approximation (CPA). One- and three-dimensional inhomogeneities with an arbitrary correlation wave number k(c) are considered (r(c)=k(c)(-1) is the correlation radius of the inhomogeneities). The method of the approximate solution of the CPA equation is proposed which has the quick convergence. Effects of exchange narrowing of the magnetic resonance lines and shifts of these lines are calculated in the whole region of the values of the correlation wave number k(c). The approximate analytical expressions for the linewidth of the FMR in the limiting cases of the small and large k(c) are obtained. Large narrowing of the FMR and spin-wave linewidths with the decrease of the correlation, radius of inhomogeneities is the substantiation. of the main advantage of nanocrystalline and amorphous materials over usual polycrystals when they are used at high frequency devices.

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Держатели документа:
RAS, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L. V. Kirensky Institute of Physics SB RAS, 660036, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Felk, V. A.; Игнатченко, Вальтер Алексеевич
}
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15.

Gavrichkov, V. A.
Doping dependent electronic structure of cuprates and the effective low energy Hamiltonian for the magnetic pairing / V. A. Gavrichkov, M. M. Korshunov, S. G. Ovchinnikov // Int. J. Mod. Phys. B. - 2005. - Vol. 19, Is. 1-3. - P. 247-249, DOI 10.1142/S0217979205028335. - Cited References: 14 . - ISSN 0217-9792

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
COPPER OXIDES
SYMMETRY
MODEL
Кл.слова (ненормированные):
electronic structure -- strong electron correlations -- magnetic mechanism of pairing -- Electronic structure -- Magnetic mechanism of pairing -- Strong electron correlations -- copper derivative -- calculation -- chemical reaction -- chemical structure -- conference paper -- correlation analysis -- electron -- electronics -- energy -- hybridization -- intermethod comparison -- magnetism -- mathematical analysis -- mathematical model
Аннотация: The properties of the normal and superconducting phases of p- and n-type cuprates are investigated in the appropriate low-energy models in the approximation beyond Hubbard I considering spin fluctuations. Calculated chemical potential dependence on doping, Fermi surface and T,(x) phase diagram for n-type cuprates are in remarkably good agreement with the experimental ones. Comparison of the singlet-triplet t-J model with simple t-J model shows that the spin-exciton mechanism originated from singlet-triplet hybridization leads to small contribution to the T-c(x) - optimal doping value becomes slightly lower and the maximum value of T-c become slightly higher.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L. V. Kirensky Inst. Phys. S., Russian Academy of Science, Akademgorodok, 660036, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович; International Conference on New Theories, Discoveries and Applications of Superconductors and Related Materials(5 ; 2004 ; June ; 11-16 ; Chongqing, China)
}
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16.

Conductivity, weak ferromagnetism, and charge instability in an alpha-MnS single crystal / S. S. Aplesnin [et al.] // Phys. Rev. B. - 2005. - Vol. 71, Is. 12. - Ст. 125204 ; Phys. Rev. B Condens. Matter Mater. Phys. - 2005. - Vol. 71, Is. 12. - Ст. 125204, DOI 10.1103/PhysRevB.71.125204. - Cited References: 11 . - ISSN 1098-0121. - Вариант Sopus

РУБ Physics, Condensed Matter
Рубрики:
MANGANITES
Кл.слова (ненормированные):
ferromagnetic material -- manganese derivative -- absorption spectroscopy -- article -- calculation -- conductance -- crystal -- electron spin resonance -- hybridization -- magnetic field -- magnetism -- measurement -- molecular interaction -- temperature dependence -- temperature measurement -- ferromagnetic material -- manganese derivative -- absorption spectroscopy -- article -- calculation -- conductance -- crystal -- electron spin resonance -- hybridization -- magnetic field -- magnetism -- measurement -- molecular interaction -- temperature dependence -- temperature measurement
Аннотация: The temperature dependence of resistivity, magnetization, and electron-spin resonance of the α-MnS single crystal were measured in temperature range of 5 K < T< 550 K. Magnetization hysteresis in an applied magnetic field up to 0.7 T at T=5, 77, and 300 K, irreversible temperature behavior of magnetization, and resistivity were found. The obtained data were explained in terms of a degenerate tight binding model using random phase. approximation. The contribution of holes in t(2g) and e(g) bands of manganese ions to the conductivity, optical absorbtion spectra, and charge instability in α-MnS were studied. Charge susceptibility maxima resulted from the competition of the on-site Coulomb interaction between the holes in different orbitals and small hybridization of subbands were calculated at T = 160, 250, and 475 K.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Aplesnin, S. S.; Аплеснин, Сергей Степанович; Ryabinkina, L. I.; Рябинкина, Людмила Ивановна; Abramova, G. M.; Абрамова, Галина Михайловна; Romanova, O. B.; Романова, Оксана Борисовна; Vorotynov, A. M.; Воротынов, Александр Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Kiselev, N. I.; Balaev, A. D.; Балаев, Александр Дмитриевич

}
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17.

Ab initio calculation of the parameters and band structure of the multiband p-d model for La2CuO4 / Z. V. Pchelkina [et al.] // The Physics of Metals and Metallography. - 2006. - Т. 101, №1 suppl. - P., DOI 10.1134/S0031918X06130059. - Библиогр.: 9. - Joint Integration Pro gram of the Siberian and Ural Divisions of the Russian Academy of Sciences (no. 22); the RFBR–GFEN (grant no. 03-02-39024); the Russian Foundation for Basic Research (grant nos. 04-02-16096 and 03-02-16124); the Siberian Division of the Russian Academy of Sciences, Strongly Correlated Electron Systems Pro gram; and INTAS (grant no. 01-0654). . - ISSN 0031-918X. - ISSN 1531-8672
Аннотация: In this paper, we proposed ab initio calculation of hopping parameters for La2CuO4. The Wannier function projection procedure of obtaining a small Hamiltonian in real space for different sets of bands of inter est was used. The importance of taking into account Cu and apical Oa pz orbitals is shown. The param eters obtained are used to calculate the band structure of undoped La2CuO4 in the framework of the multiband p–d model in the regime of strong electron correlations.

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Держатели документа:
Center for Electronic Correlations and Magnetism,University of Augsburg
Institute of Metal Physics,Ural Division,Russian Academy of Sciences
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences

Доп.точки доступа:
Pchelkina, Z. V.; Kondakov, D. E.; Anisimov, V. I.; Leonov, I. V.; Gavrichkov, V. A. ; Гавричков Владимир Александрович; Ovchinnikov, S. G. ; Овчинников Сергей Геннадьевич
}
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18.

Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates / M. M. Korshunov [et al.] // Physica B. - 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P. 459-460, DOI 10.1016/j.physb.2006.01.340. - Cited References: 11 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Кл.слова (ненормированные):
strongly correlated electron systems -- superconductivity -- n-type cuprates -- n-type cuprates -- Strongly correlated electron systems -- Superconductivity -- Electronic structure -- Hamiltonians -- Mathematical models -- Oxide superconductors -- Perturbation techniques -- Intercluster hopping -- N-type cuprates -- Strongly correlated electron systems -- Band structure
Аннотация: A novel hybrid scheme is proposed and applied for band structure calculations of undoped n-type cuprate Nd2CuO4. The ab initio LDA calculation is used to obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within this model is calculated by the generalized tight-binding (GTB) method, that combines the exact diagonalization of the model Hamiltonian for a small cluster with perturbation treatment of the intercluster hopping and interactions. For Nd2CuO4, this scheme results in charge transfer insulator with value of the gap and band dispersion in agreement to the experimental data. (c) 2006 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy, Sciences-Ural Division, GSP-170, 620219 Yekaterinburg, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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19.

Zinenko, V. I.
Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian / V. I. Zinenko, N. G. Zamkova // J. Exp. Theor. Phys. - 2008. - Vol. 106, Is. 3. - P. 542-549, DOI 10.1134/S1063776108030138. - Cited References: 17 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
RELAXOR FERROELECTRICS
   PEROVSKITES
   BATIO3
   PBTIO3
Кл.слова (ненормированные):
Approximation theory -- Ferroelectric materials -- Hamiltonians -- Mathematical models -- Monte Carlo methods -- Phase transitions -- Ferroelectric phase transition -- Gordon-Kim model -- Local-mode approximation -- Solid solutions
Аннотация: To describe the ferroelectric phase transition in ordered and disordered PbSc0.5Ta0.5O3 (PST) and PbSc0.5Nd0.5O3 (PSN) solid solutions, a model Hamiltonian is written in the local-mode approximation, in which long-range dipole-dipole and short-range interactions of local modes are taken into account. The Hamiltonian parameters are determined from the set of energies of a series of distorted structures, calculated within the nonempirical generalized Gordon-Kim model. The statistical mechanics of the systems with a model Hamiltonian is investigated by the Monte Carlo method. It is revealed that PSN solid solutions undergo a transition to the ferroelectric rhombohedral phase through an intermediate phase, existing in a narrow temperature range. PST solid solutions undergo a ferroelectric phase transition directly from the paraelectric cubic to the ferroelectric rhombohedral phase.

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Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
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20.

Magneto-optical study of Friedericksz threshold in polymer dispersed nematic liquid crystals / O. O. Prishchepa [et al.] // Mol. Cryst. Liquid Cryst. - 2008. - Vol. 488, Is. 1. - P. 309-316, DOI 10.1080/15421400802241167. - Cited Reference Count: 11 . - ISSN 1542-1406
Рубрики:

Кл.слова (ненормированные):
Friedericksz threshold -- nematic -- magneto-optics -- polymer dispersed liquid crystals -- surface anchoring -- Friedericksz threshold -- Magneto-optics -- Nematic -- Polymer dispersed liquid crystals -- Surface anchoring -- Computer systems -- Crystallography -- Drop formation -- Drops -- Fluid mechanics -- Light sources -- Liquid crystals -- Magnetos -- Optical engineering -- Powders -- Approximate formulas -- Calculation data -- Computer modelling -- Friedericksz threshold -- Magneto-optical -- Magneto-optics -- Measured values -- Nematic -- Nematic droplets -- Poly vinyl butyral -- Polymer dispersed liquid crystals -- Reorientation processes -- Surface anchoring -- Threshold fields -- Nematic liquid crystals
Аннотация: A computer model of reorientation processes in the bipolar nematic droplets of ellipsoidal form with strong tangential anchoring has been developed. The approximate formula to estimate the Friedericksz threshold has been obtained when the operating field (electric or magnetic) is orthogonal to the bipolar axis. The dependence of the threshold field on the droplet form has been considered. The reorientation of the bipolar droplets of 5CB nematic liquid crystal dispersed in polyvinylbutyral has been studied by the magneto-optical method. The calculation data are in good agreement with measured values of the threshold field.

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Держатели документа:
Siberian Fed Univ, SB RAS, LV Kirensky Phys Inst, Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Prishchepa, O. O.; Parshin, A. M.; Паршин, Александр Михайлович; Shabanov, A. V.; Шабанов, Александр Васильевич; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; International Topical Meeting on Optics of Liquid Crystals(12th ; OCT 01-05, 2007 ; Puebla, MEXICO)
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