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Optimization of the contrast, brightness, and modulation amplitude of light in electrooptic devices based on polymer-encapsulated ferroelectric liquid crystals / V. Y. Zyryanov [et al.] // Tech. Phys. Lett. - 1998. - Vol. 24, Is. 6. - P. 483-484, DOI 10.1134/1.1262154. - Cited References: 6 . - ISSN 1063-7850

РУБ Physics, Applied

Аннотация: An analysis is made of the relations connecting the maximum optical transmittance, the light modulation amplitude, and the contrast in a polymer-encapsulated ferroelectric liquid-crystal device to the geometry of device and the tilt angle theta of the director. The correctness of the calculations is confirmed by their agreement with experimental measurements. (C) 1998 American Institute of Physics. [S1063-7850(98)02806-7].

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

Доп.точки доступа:
Zyryanov, V. Y.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Сморгон, Сергей Леонидович; Shabanov, A. V.; Шабанов, Александр Васильевич; Pozhidaev, E. P.
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Optimization of light modulation characteristics in PDFLC cells / V. Ya. Zyryanov, S. L. Smorgon, V. F. Shabanov [et al.] // 7th International Symposium "Advanced Display Technologies" : proceedings. - 1998. - P. 58-61

Доп.точки доступа:
Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Shabanov, V. F.; Шабанов, Василий Филиппович; Pozhidaev, E. P.; Andreev, A. L.; Kompanets, I. N.; Shin, S. T.; "Advanced Display Technologies", International Symposium(7 ; 1998 ; 1-5 Dec. ; Minsk)
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Optimization of light modulation characteristics of polarizer-free PDFLC cells / V. Ya. Zyryanov, S. L. Smorgon, V. F. Shabanov [et al.] // 9th International Symposium "Advanced Display Technologies : basic studies of problems in information display" (FLOWERS 2000) : abstracts. - 2000. - P44-45 ; Proceedings of SPIE - The International Society for Optical Engineering. - 2001. - Vol. 4511

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Доп.точки доступа:
Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Shabanov, V. F.; Шабанов, Василий Филиппович; Pozhidaev, E. P.; Andreev, A. L.; Kompanets, I. N.; Maltese, P.; Haase, W.; "Advanced Display Technologies : basic studies of problems in information display", International Symposium(9 ; 2000 ; 10-12 Oct. ; Moscow, Russia)

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Fedorov, A. S.
Optimization of the calculations of the electronic structure of carbon nanotubes / A. S. Fedorov, P. B. Sorokin // Phys. Solid State. - 2005. - Vol. 47, Is. 11. - P. 2196-2202, DOI 10.1134/1.2131167. - Cited References: 19 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
MOLECULAR-DYNAMICS
ELASTIC PROPERTIES
TUBES
Аннотация: A method is proposed for calculating the electronic structure and physical properties (in particular, Young's modulus) of nanotubes, including single-walled carbon nanotubes. This method explicitly accounts for the periodic boundary conditions for the geometric structure of nanotubes and makes it possible to decrease considerably (by a factor of 10-10(3)) the time needed to calculate the electronic structure with minimum error. In essence, the proposed method consists in changing the geometry of the structure by partitioning nanotubes into sectors with the introduction of the appropriate boundary conditions. As a result, it becomes possible to reduce substantially the size of the unit cell of the nanotube in two dimensions, so that the number of atoms in a new unit cell of the modified nanotube is smaller than the number of atoms in the initial unit cell by a factor equal to an integral number. A decrease in the unit cell size and the corresponding decrease in the number of atoms provide a means for drastically reducing the computational time, which, in turn, substantially decreases with an increase in the degree of partition, especially for nanotubes with large diameters. The results of the calculations performed for carbon and non-carbon (boron nitride) nanotubes demonstrate that the electronic structures, densities of states, and Young's moduli determined within the proposed approach differ insignificantly from those obtained by conventional computational methods. (c) 2005 Pleiades Publishing, Inc.

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

Доп.точки доступа:
Sorokin, P. B.; Федоров, Александр Семенович
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Ovchinnikov, S. G.
Effective Hamiltonian for HTSC cuprates taking into account electron-phonon interaction in the strong-correlation regime / S. G. Ovchinnikov, E. I. Shneider // J. Exp. Theor. Phys. - 2005. - Vol. 101, Is. 5. - P. 844-855, DOI 10.1134/1.2149064. - Cited References: 38. - This work was supported by the Russian Foundation for Basic Research (project no. 03-02-16124), the program “Quantum Macrophysics” of the Presidium of the Russian Academy of Sciences, the Foundation in Support for Russian Science, the Foundation of Noncommercial . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   D-WAVE SUPERCONDUCTIVITY
   T-C
   DISPERSION
   SCATTERING
   OXIDES
   STATE
   MODEL
Кл.слова (ненормированные):
Electron beams -- Electronic structure -- Optimization -- Phonons -- Electron correlations -- Hubbard X operators -- Spin-photon interaction -- Hamiltonians
Аннотация: Electron-phonon interaction is sequentially derived from a realistic p-d multiband model for the cuprates under conditions of strong electron correlations. The electronic structure is described using the representation of the Hubbard X operators in a generalized tight-binding method. Dependences of the diagonal and off-diagonal (on lattice sites) matrix elements of electron-phonon interaction on the wavevectors are found for three phonon modes, namely, breathing, apical breathing, and bending modes. The interactions of the breathing and bending modes with electrons are shown to contribute to the formation of kinks in the (0; 0)-(pi; pi) and (0; 0)-(pi; 0) directions, respectively. A low-energy t-J* model with phonons is developed; apart from electron-phonon interaction, it also includes spin-phonon interaction. The elimination of phonons gives an effective electron-electron interaction that depends on the occupation number of a multielectron term and on the carrier concentration due to strong electron correlations. (c) 2005 Pleiades Publishing, Inc.

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Эффективный гамильтониан для ВТСП-купратов с учетом электрон-фононного взаимодействия в режиме сильных корреляций [Текст] / С. Г. Овчинников, Е. И. Шнейдер // Журнал экспериментальной и теоретической физики. - 2005. - Т. 128 Вып. 5. - С. 974-986

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

Доп.точки доступа:
Shneider, E. I.; Шнейдер, Елена Игоревна; Овчинников, Сергей Геннадьевич
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Aplesnin, S. S.
Effect of bond fluctuations on the transport properties of manganites and nickelates / S. S. Aplesnin // J. Exp. Theor. Phys. - 2007. - Vol. 104, Is. 5. - P. 766-774, DOI 10.1134/S1063776107050111. - Cited References: 26 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
NEUTRON-DIFFRACTION
   CHARGE DISPROPORTIONATION
   ELECTRONIC-STRUCTURE
   MAGNETIC ORDER
   TRANSITIONS
   PEROVSKITES
   PRNIO3
   GAP
Кл.слова (ненормированные):
Crystal structure -- Manganites -- Optimization -- Thermal conductivity -- Thermal effects -- Bond fluctuations -- Nickelates -- Orthorhombic crystal structure -- Nickel compounds
Аннотация: For the manganites RMnO(3) (R = La, Pr, Nd), a mechanism is proposed to explain the anomalous temperature dependences of the kinetic coefficients, resistivity, and thermoelectric power during the transition from the pseudocubic O to the orthorhombic O' crystal structure. The contributions of the bending and stretching modes of the octahedron to the formation of thermal-conductivity maxima and to the deviation from the linear dependence of ln(rho/T) on 1/T at low temperatures have been estimated. In nickelates, the metal-insulator transition is caused by lattice-polaron pinning by the stretching mode of the octahedron, and the low-temperature anomaly of the thermal conductivity is related to electron scattering by the bending mode of the octahedron.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, 660014, Russian Federation

Доп.точки доступа:
Аплеснин, Сергей Степанович
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    Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method / D. G. Fedorov [et al.] // Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P. 169-175, DOI 10.1016/j.cplett.2009.06.072. - Cited Reference Count: 49. - Гранты: We thank Professor M. Suenaga of Kyushu University for continuing his development of the modeling software FACIO and its FMO interface. D. G. F. and K. K. were supported by the a Grant-in- Aid for Scientific Research (JSPS, Japan) and the Next Generation SuperComputing Project, Nanoscience Program (MEXT, Japan). J.H.J. was supported by a Skou Fellowship from the Danish Research Agency (Forskningsradet for Natur og Univers). - Финансирующая организация: JSPS, Japan; Next Generation SuperComputing Project; MEXT, Japan; Danish Research Agency . - JUL 28. - ISSN 0009-2614
Рубрики:
DENSITY-FUNCTIONAL THEORY
   GEOMETRY OPTIMIZATIONS
   SEMICONDUCTOR NANOWIRES
   SILICON NANOWIRES
   METHOD FMO
   ENERGY
   SURFACES
   RECONSTRUCTION
   CHEMISTRY
   PROTEINS
Кл.слова (ненормированные):
Energy gradients -- Fragment molecular orbital methods -- Future applications -- Geometry optimization -- Numerical criteria -- Silicon Nanowires -- Molecular modeling -- Molecular orbitals
Аннотация: We have developed and implemented the analytic energy gradient for the bond detachment scheme in the fragment molecular orbital method (FMO) suitable to describe solids, and applied it to the geometry optimization of a silicon nanowire at several levels of theory. In addition, we have examined in detail the effects of the particular choice of the fragmentation upon the accuracy and introduced a number of numerical criteria to characterize the errors. The established route is expected to provide guidance for future applications of FMO to surfaces, solids and nanosystems. (C) 2009 Elsevier B. V. All rights reserved.

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Держатели документа:
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
Kyoto Univ, Grad Sch Pharmaceut Sci, Sakyo Ku, Kyoto 6068501, Japan

Доп.точки доступа:
Fedorov, D.G.; Kitaura, K.; Avramov, P. V.; Аврамов, Павел Вениаминович; Jensen, J.H.
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Peculiarities of Intelligence Optimization of a Microstrip Filter on Folded Dual-mode Resonators [Text] / I. A. Dovbysh, V. V. Tyurnev // Progress in Electromagnetics Research Symposium Proceedings (PIERS 2009). - 2009. - P. 1161-1163

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Доп.точки доступа:
Dovbysh, I.A.; Tyurnev, V. V.; Progress In Electromagnetics Research Symposium(26 ; 2009 ; Aug. ; 18-21 ; Moscow)
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Optimization of the contrast and transmittance in one-polarizer PDFLC cells / V. Ya. Zyryanov, S. L. Smorgon, V. F. Shabanov [et al.] // Proceedings of the international display research conference "Asia Display'98". - 2009. - P. 1037-1039

Доп.точки доступа:
Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Smorgon, S. L.; Shabanov, V. F.; Шабанов, Василий Филиппович; Pozhidaev, E. P.; Andreev, A. L.; Kompanets, I. N.; Shin, S. T.; international display research conference "Asia Display'98"(18 ; 1998 ; Nov. 13 ; Seoul, Korea); Asia Display(18 ; 1998 ; Nov. 13 ; Seoul, Korea)
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10.

    Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2009. - Vol. 113, Is. 36. - P. 15964-15968, DOI 10.1021/jp904996e. - Cited Reference Count: 43. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Tcchnology Agency (JST) and a collaborative RFBR-JSPS Grant 0902-92107-Phi. One of the authors (S.I.) also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. - Финансирующая организация: Japan Science and Tcchnology Agency (JST); RFBR-JSPS Grant; Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan . - SEP 10. - ISSN 1932-7447
Рубрики:
IMPLANTED POROUS SILICON
   AUGMENTED-WAVE METHOD
   MU M LUMINESCENCE
   SI NANOCRYSTALS
   THIN-FILMS
   BASIS-SET
   ERBIUM
   PHOTOLUMINESCENCE
   DENSITY
   PSEUDOPOTENTIALS
Кл.слова (ненормированные):
Ab initio -- Atomic structure -- Density functionals -- Empirical pseudo-potential -- Endohedrals -- Energetic stability -- Er-doped -- Erbium complexes -- Erbium ion -- Experimental data -- Hartree-fock -- Many body perturbation theory -- Mass centers -- Perturbation approach -- Plane wave -- Pseudopotentials -- Quantum Dot -- Silicon quantum dots -- Strong binding -- Strong electron correlations -- Theoretical result -- Crystal atomic structure -- Electron correlations -- Electron density measurement -- Electronic properties -- Electronic structure -- Erbium -- Perturbation techniques -- Structural optimization -- Semiconductor quantum dots
Аннотация: Atomic and electronic structures of Goldberg-type silicon quantum dots and their endohedral erbium complexes were studied using ab initio and plane wave pseudopotential density functional and Moller-Plesset many-body perturbation theories. During atomic structure optimizations, the erbium ions occupy mass centers inside the central hollows of quantum dots of different symmetries. It was found that strong electron correlations within the Er 4f shell taken into account by empirical pseudopotential and post-Hartree-Fock perturbation approaches are responsible for strong binding of Er ions to quantum dots. We elucidate the effects of symmetry and discuss theoretical results in comparison to available experimental data,

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http://pubs.acs.org/doi/abs/10.1021/jp904996e.
Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, D. G.; Irle, S.; Morokuma, K.
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