Библиотека института физики им. Л.В. Киренского СО РАН

Главная

Базы данных

Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

Область поиска

в найденном

Найдено в других БД:

Каталог книг и брошюр библиотеки ИФ СО РАН (7)

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: (<.>K=calculation<.>)

Общее количество найденных документов : 72
Показаны документы с 1 по 20

1-20 21-40 41-60 61-72

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sidorov K. A., Ovchinnikov S. G., Tikhonov N. V.
Заглавие : Simple method for exact calculation of thermodynamic properties of the 1D Hubbard model with infinite repulsion
Место публикации : J. Experim. Theor. Phys. - 2013. - Vol. 116, Is. 2. - P.330-337. - DOI 10.1134/S1063776113020167
Аннотация: It is shown that the canonical partition function in the 1D Hubbard model with U = ∞ in the near-est neighbor approximation is determined by the product of canonical partition functions of spinons andholons. In this approximation, the concentration and temperature dependences of the free and internal ener gies, as well as of the chemical potential, entropy, and heat capacity, are calculated for electron concentrations of 0 ≤ n[[d]]e[[/d]] ˂ 1
Смотреть статью,
WOS,
РИНЦ,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Isaenko L. I., Kesler V. G., Lin Z. S., Molokeev M. S., Yelisseyev A. P., Zhurkov S. A.
Заглавие : Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite
Место публикации : J. Solid State Chem. - 2012. - Vol. 187. - P.159-164. - ISSN 0022-4596, DOI 10.1016/j.jssc.2011.12.037
Примечания : Cited References: 50. - This study is partly supported by SB RAS Project No. 34. ZSL acknowledges the funding support of No. 91022036, 11174297, 2010CB630701, and 2011CB922204 in China. Authors also wish to thank V. D. Fokina for microcaloric measurements.
Предметные рубрики: PHASE-TRANSITIONS
CRYSTAL-GROWTH
FERROELECTRIC K3WO3F3
SOLID-STATE
OXYFLUORIDE
FLUORIDE
POLAR
CS
(NH4)(3)MOO3F3
APPROXIMATION
Anion ordering
Chemical routes
Elpasolite
First-priciples calculation
Forbidden band
Low temperatures
Non-linear optical coefficients
Nonlinear optical crystal
Optical transparency
Oxyfluorotungstate
Room temperature
Ключевые слова (''Своб.индексиров.''): oxyfluorotungstate--structure--nonlinear optical crystals--electronic and optical properties--first-principles calculations
Аннотация: Room-temperature modification of potassium oxyfluorotungstate, G(2)-K3WO3F3, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 mu m and forbidden band gap E-g=4.32 eV have been obtained for G(2)-K3WO3F3 crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G(2)-K3WO3F3 is predicted to possess the relatively large nonlinear optical coefficients. (C) 2012 Elsevier Inc. All rights reserved.
Смотреть статью,
WoS,
Scopus,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Беляев, Борис Афанасьевич, Изотов, Андрей Викторович
Заглавие : Микромагнитный расчет магнитостатических мод колебаний ортогонально намагниченного диска железо-иттриевого граната
Место публикации : Физ. тверд. тела: Физико-технический институт им. А.Ф.Иоффе РАН, 2013. - Т. 55, Вып. 12. - С. 2370-2378. - ISSN 0367-3294
Примечания : Работа выполнена при финансовой поддержке Министерства образования и науки РФ (государственный контракт N 14.513.11.0010), Федеральной целевой программы "Научные и научно-педагогические кадры инновационной России (2009-2013 гг.)" и интеграционного проекта СО РАН N 109.
Аннотация: В диапазоне частот 0.0001-100 MHz исследовано поведение спектров импеданса островковых пермаллоевых пленок, полученных вакуумным напылением на оптически полированные подложки из ситалла. Разработана резистивно-емкостная модель пленок и определены ее параметры, для которых наблюдается хорошее согласие с экспериментальными результатами частотных зависимостей действительной и мнимой компонент импеданса. Изучены закономерности в поведении электрофизических характеристик при изменении толщины образцов и величины зазора между измерительными электродами. Определены величины относительной диэлектрической проницаемости исследуемых пленок, достигающие значений varepsilon~ 10˄7-10˄8, и вычислены времена релаксации структуры.
Смотреть статью,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Каравайский, Андрей Юрьевич, Миронов, Валерий Леонидович
Заглавие : Применимость концепции вымерзания незамерзшей воды в мерзлой почве для расчета зависимости диэлектрической проницаемости от влажности и температуры
Коллективы : "Решетневские чтения", международная научная конференция (16; 2012 ; нояб. ; 7-9; Красноярск)
Место публикации : Решетневские чтения: матер. XVI Междунар. науч. конф. : в 2 ч. - Красноярск, 2012. - Ч. 1. - С. 210-212. - ISBN 1990-7702
Аннотация: На основе измерений спектров комплексной диэлектрической проницаемости влажной почвы показано, что применение концепции вымерзания незамерзшей воды в мерзлой почве дает погрешности до 100 % при расчетах показателя преломления. Доказано, что такая существенная ошибка возникает за счет присутствия в почве различных типов незамерзшей воды.
Материалы конференции
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Izotov A. V.
Заглавие : Micromagnetic calculation of magnetostatic oscillation modes of an orthogonally magnetized disk of yttrium iron garnet
Место публикации : Phys. Solid State. - 2013. - Vol. 55, Is. 12. - P.2491-2500. - ISSN 1063-7834, DOI 10.1134/S1063783413120068
Аннотация: The absorption spectrum of a normally magnetized disk of yttrium iron garnet, which is associated with resonances of magnetostatic oscillation modes excited by a homogeneous high-frequency magnetic field, has been investigated using a numerical analysis of the micromagnetic model developed for ferromagnetic objects. The distribution of magnetization oscillation amplitudes over the disk surface area has been obtained for the first four modes. A good agreement between the results of the micromagnetic simulation and the data of analytical calculations for special cases has proved the reliability and efficiency of the proposed approach in numerical experiments on the study of the magnetization dynamics in objects with different geometries and shapes, including multilayer magnetic film structures.
Scopus,
Смотреть статью,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Turchin P. P., Prodaivoda G. T.
Заглавие : Calculation of elastic constants of quasiisotropic monomineral rocks
Место публикации : Fiz. Zemli. - 1999. - Is. 3-4. - P.A32-A40. - ISSN 0002-3337
Примечания : Cited References: 20
WOS
Найти похожие

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Burkov S. I., Zolotova O. P., Turchin P. P., Sorokin B. P., Aleksandrov K. S.
Заглавие : Calculation of thermostable directions and the influence of bias electricfield on the propagation of the Lamb and SH waves in langasite single crystalplates
Коллективы : IEEE International ultrasonics symposium
Место публикации : Proceedings - IEEE Ultrasonics Symposium. - 2010. - Ст.5935458. - P.1853-1856. - ISBN 1051, DOI 10.1109/ULTSYM.2010.5935458. - ISBN 9781457703829
Ключевые слова (''Своб.индексиров.''): dc electric field influence--lamb wave--sh-wave--thermostability--bias electric fields--dc electric field--lamb wave--langasite crystals--langasites--sh wave--single-crystal plates--temperature coefficient--thermostability--computer simulation--electromechanical coupling--shear waves--single crystals--ultrasonics--electric fields--electric fields--shear waves
Аннотация: Paper is presented the results of computer simulation. Effect of the dcelectric field influence on the propagation of Lamb and SH waves and itstemperature coefficients of delay in piezoelectric langasite crystal plate for alot of cuts and directions have been calculated. There were found the cutspossessing the thermostability and sufficient electromechanical coupling. В©2010 IEEE.
Scopus,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sorokin B. P., Marushyak A. N., Aleksandrov K. S.
Заглавие : Influence of heterogeneous external fields on propagation of bulk acoustic waves in crystals
Коллективы : IEEE International ultrasonics symposium
Место публикации : Proceedings - IEEE Ultrasonics Symposium. - 2008. - Ст.4803313. - P.1472-1475. - ISBN 1051-0117, DOI 10.1109/ULTSYM.2008.0358
Ключевые слова (''Своб.индексиров.''): bulk elastic wave--non-homogeneous mechanical loading--phase velocity--wave surface--bulk acoustic waves--bulk elastic wave--bulk waves--external fields--non-homogeneous--non-homogeneous mechanical loading--numerical calculation--small amplitude--wave surface--acoustic fields--crystals--elastic waves--elasticity--phase velocity--silicon compounds--soil structure interactions--waves--velocity
Аннотация: Formulas describing the influence of nonhomogeneous pressure on propagation of bulk waves in crystals have derived. Phase velocity for small amplitude waves in Bi12SiO20 crystal the action of non-homogeneous pressure has been . Under those conditions the behavior of the wave has researched. Numerical calculation of phase velocity of and their directions propagation changing have obtained. В©2008 IEEE.
Scopus,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Turchin P. P., Prodaivoda G. T.
Заглавие : Calculation of elastic constants of quasi-isotropic monomineral rocks
Место публикации : 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
Найти похожие

10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pavlovskii M. S., Shinkorenko A. S., Zinenko V. I.
Заглавие : Calculation of lattice dynamics, elastic and dielectric properties of γ-BiB3O6 and δ-BiB3O6
Коллективы : Council on Grants from the President of the Russian Federation for Support of the "Leading Scientific Schools" [NSh-924.2014.2]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 57, Is. 4. - P.675-682. - ISSN 1063, DOI 10.1134/S1063783415040241. - ISSN 10906460(eISSN)
Примечания : Cited References:14. - This study was supported by the Council on Grants from the President of the Russian Federation for Support of the "Leading Scientific Schools" (grant no. NSh-924.2014.2).
Предметные рубрики: BISMUTH BORATE BiB3O6
OPTICAL-PROPERTIES
CRYSTAL
RAMAN
Аннотация: The crystal lattice vibration frequencies, densities of phonon states, elastic moduli, and high-frequency permittivities have been calculated in terms of the density functional theory method for two polymorphs γ-BiB3O6 and δ-BiB3O6. Based on the calculated densities of phonon states, the temperature dependences of the free energies of two considered bismuth triborate modifications have been constructed, and the temperature of the phase transition between these modifications has been determined (1100 K). The structure of a possible nonpolar praphase of δ-BiB3O6 has been proposed. The polarization of δ-BiB3O6 has been estimated as 131 μC/cm2.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Izotov A. V., Solovev P. N.
Заглавие : Competing magnetic anisotropies in obliquely deposited thin permalloy film
Место публикации : Physica B. - 2016. - Vol. 481. - P.86-90. - ISSN 0921-4526, DOI 10.1016/j.physb.2015.10.036
Примечания : Cited References: 31. - This study was supported by the Ministry of Education and Science of the Russian Federation, task no. 3.528.2014K
Предметные рубрики: FERROMAGNETIC-RESONANCE
MICROMAGNETIC CALCULATION
Ключевые слова (''Своб.индексиров.''): thin film--magnetic anisotropy--oblique deposition--ferromagnetic resonance--micromagnetic simulation
Аннотация: Distribution of the magnetic anisotropy in thin film prepared by thermal vacuum oblique deposition of permalloy with small off-normal angle of incident in the presence of an external magnetic field has been studied by ferromagnetic resonance technique. On local area of the sample, a mutual compensation of near orthogonal in-plane uniaxial magnetic anisotropies induced by oblique deposition and by applied magnetic field has been found. Moreover, in addition to the uniaxial (twofold) magnetic anisotropy, fourfold and sixfold magnetic anisotropies have been observed in the sample. To explain the obtained high-order anisotropies, we assumed that the sample has exchange coupled adjacent regions or phases with different parameters of magnetic anisotropy. The results of the micromagnetic analysis of a two-layer model of the sample confirm the hypothesis. © 2015 Elsevier B.V. All rights reserved.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Tyurnev V. V., Izotov A. V., Leksikov Al. A.
Заглавие : Study of the fields scattered by a periodic strip structure of thin magnetic films
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 58, Is. 1. - P.55-61. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783416010054
Примечания : Cited References: 14. - This study was performed at the Siberian Federal University and was supported by the Ministry of Education and Science of the Russian Federation (state task for 2014-2016, project no. 3.528.2014K).
Предметные рубрики: GIANT MAGNETORESISTANCE
MICROMAGNETIC CALCULATION
Аннотация: Components of the fields scattered by a periodic planar strip structure of thin magnetic films possessing a uniaxial magnetic anisotropy in the plane have been calculated using the phenomenological model. Regularities in the dependence of these fields on the design parameters of the structure have been studied. The results obtained agree with the numerical analysis of the micromagnetic model of this structure. It has been shown that, near the edges of strips magnetized orthogonally to the major axis, the components of the scattered field can exceed the external magnetizing field by a few orders of magnitude. This fact makes it possible to design highly efficient magnetoresistive elements on the basis of a strip structure of magnetic films and thin semiconductor films. © 2016, Pleiades Publishing, Ltd.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zinenko V. I.
Заглавие : The effect of structural ordering on the magnetic, electronic, and optical properties of the LaPbMnSbO6 double perovskite
Коллективы : Russian Foundation for Basic Research [15-02-00340-a]; Russian Federation [NSH-924.2014.2]
Место публикации : J. Alloys Compd.: Elsevier Science, 2016. - Vol. 671. - P.184-191. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2016.02.085. - ISSN 1873-4669(eISSN)
Примечания : Cited References:32. - This work was supported by the Russian Foundation for Basic Research, project no. 15-02-00340-a and the Grant of the President of the Russian Federation for Support of Leading Scientific Schools no. NSH-924.2014.2.
Предметные рубрики: SYSTEMS
NI
CO
Ключевые слова (''Своб.индексиров.''): ab initio calculation--double perovskite--magnetic materials--optical--properties--electronic properties--magnetic properties--layer compound
Аннотация: The interplay between the magnetic, electronic, and optical properties and the cation structural ordering in the LaPbMnSbO6 double perovskite is studied using the Vienna Ab Initio Simulation Package (VASP). The layer and rock-salt cation ordering types are investigated. Both of them are of great importance. The rock-salt ordering of B-site cations is one of the most frequently met cation ordering types in double perovskites; the layer ordering of both cations, which can be considered as a heterostructure, is interesting for fundamental research and experimental synthesis. It was established that the properties of the two investigated structures are strongly different. The compound with the layered structure exhibits the behavior typical of a semimetal with the ferromagnetic configuration of magnetic moments, which is unusual for a double perovskite. The rock-salt structure behaves as an antiferromagnetic insulator. Another surprising feature of the structure with the layer ordering is the coexistence of a polar phase and the metal-type conductivity. The calculated optical characteristics of the two ordered structures are compared with the experimental dates. (C) 2016 Elsevier B.V. All rights reserved.
Смотреть статью,
WOS,
Читать в сети ИФ
Найти похожие

14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Nikolaev S. V.
Заглавие : Calculation of the Fermi Surface with Complex Topology from Norm-Conserving Cluster Perturbation Theory for Doping Dependent Electronic Structure of the Hubbard Model
Место публикации : JETP Letters. - 2011. - Vol. 93, Is. 9. - P.517-520. - ISSN 0021-3640, DOI 10.1134/S0021364011090116
Примечания : Cited References: 27. - This work was supported by the Presidium of the Russian Academy of Sciences (program no. 18.7); the Russian Foundation for Basic Research (project nos. 09-02-00127, 10-02-90725-mob_st); Siberian Branch, Russian Academy of Sciences (Integration Project no. N40); and the Ministry of Education and Sciences of the Russian Federation (state contract no. P891, Program "Kadry").
Предметные рубрики: QUANTUM OSCILLATIONS
SUPERCONDUCTORS
EVOLUTION
Аннотация: The results of recently developed norm-conserving cluster perturbation theory for doping dependent electronic structure of the Hubbard model are reported. We have found that the momentum distribution of the spectral weight strongly depends on the broadening value delta. At delta = 0.1t, we reproduce the angle-resolved photoemission spectroscopy data, while at delta = 0.01t we obtain two quantum phase transitions. DOI: 10.1134/S0021364011090116
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shorikov A., Korshunov M. M., Anisimov V. I.
Заглавие : Role of electronic correlations in the Fermi surface formation of Na (x) CoO2
Разночтения заглавия :авие SCOPUS: Role of electronic correlations in the Fermi surface formation of Na xCoO 2
Место публикации : JETP Letters. - 2011. - Vol. 93, Is. 2. - P.80-85. - ISSN 0021-3640, DOI 10.1134/S0021364011020123
Примечания : Cited References: 36. - The authors thank I. Eremin, M. Laad, and S. G. Ovchinnikov for useful discussions. A. S. and V. I. A. acknowledge the support of the Russian Foundation for Basic Research (project nos. 10-02-00046-a, 09-02-00431-a, and 10-02-00546-a), the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project nos. NSh-1941.2008.2 and MK-3758.2010.2), the Presidium of the Russian Academy of Science (programs "Quantum Microphysics of Condensed Matter" N7 and "Strongly Compressed Materials"), and the Russian Federal Agency for Science and Innovations (project no. 02.740.11.0217). M. M. K. acknowledges the support of INTAS (YS Grant no. 05-109-4891); the Russian Foundation for Basic Research (project nos. 09-02-00127, 06-02-16100, and 06-02-90537-BNTS); the Siberian Branch, Russian Academy of Sciences (integration program no. 40); the Presidium of the Russian Academy of Sciences (program no. 5.7); the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. MK-1683.2010.2); and the Ministry of Education and Science of the Russian Federation (project no. R891, federal program "Scientific and Pedagogical Personnel of Innovative Russia for 2009-2013").
Предметные рубрики: DENSITY-FUNCTIONAL CALCULATION
METALS
SPIN
Аннотация: Band structure of metallic sodium cobaltate Na (x) CoO2 (x = 0.33, 0.48, 0.61, 0.72) has been investigated by local density approximation + Hubbard U (LDA+U) method and within Gutzwiller approximation for the Co-t (2g) manifold. Correlation effects being taken into account results in suppression of the e' (g) hole pockets at the Fermi surface in agreement with recent angle-resolved photoemission spectroscopy (ARPES) experiments. In the Gutzwiller approximation the bilayer splitting is significantly reduced due to the correlation effects. The formation of high spin (HS) state in Co d-shell was shown to be very improbable.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Izotov A. V., Leksikov An. A.
Заглавие : Micromagnetic calculation of the equilibrium distribution of magnetic moments in thin films
Коллективы :
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2010. - Vol. 52, Is. 8. - P1664-1672. - ISSN 1063-7834, DOI 10.1134/S1063783410080160
Примечания : Cited References: 17. - This study was supported by the Council on Grants from the President of the Russian Federation (grant no. 3818.2008.3), the Siberian Branch of the Russian Academy of Sciences (integration project no. 5), the Presidium of the Russian Academy of Sciences (project no. 27.1), and the Ministry of Education and Science of the Russian federation (state contract nos. 02.740.11.0220 and 02.740.11.0568.
Предметные рубрики: SIMULATIONS
ANISOTROPY
NANOPARTICLES
MODES
Аннотация: A new approach has been proposed for determining an equilibrium configuration of magnetic moments in condensed matter in terms of its discrete model. The solution to this problem is reduced to a system of linear inhomogeneous equations with undetermined Lagrange multipliers. The possibility of numerically solving these systems has been shown using a modified power method. The efficiency of the method has been demonstrated for the model of a thin magnetic film with a nonuniform distribution of the uniaxial magnetic anisotropy over the area. The dependence of the coercive force on the uniaxial anisotropy of nanocrystallites, their exchange interaction, and other parameters of samples has been investigated.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Zamkova N. G.
Заглавие : 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
Разночтения заглавия :авие SCOPUS: Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc 0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 106, Is. 3. - P542-549. - ISSN 1063-7761, DOI 10.1134/S1063776108030138
Примечания : Cited References: 17
Предметные рубрики: RELAXOR FERROELECTRICS
PEROVSKITES
BATIO3
PBTIO3
Ключевые слова (''Своб.индексиров.''): 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.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Gavrichkov V. A., Ovchinnikov S. G., Nekrasov I. A., Pchelkina Z. V., Anisimov V. I.
Заглавие : Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2005. - Vol. 72, Is. 16. - Ст.165104. - ISSN 1098-0121, DOI 10.1103/PhysRevB.72.165104
Примечания : Cited References: 82
Предметные 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.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Ryabinkina L. I., Abramova G. M., Romanova O. B., Vorotynov A. M., Velikanov D. A., Kiselev N. I., Balaev A. D.
Заглавие : Conductivity, weak ferromagnetism, and charge instability in an alpha-MnS single crystal
Разночтения заглавия :авие SCOPUS: Conductivity, weak ferromagnetism, and charge instability in an α-MnS single crystal; авие SCOPUS: Conductivity, weak ferromagnetism, and charge instability in an ?-MnS single crystal
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2005. - Vol. 71, Is. 12. - Ст.125204. - ISSN 1098-0121, DOI 10.1103/PhysRevB.71.125204; Phys. Rev. B Condens. Matter Mater. Phys. - 2005. - Vol. 71, Is. 12. - Ст.125204. - Вариант Sopus
Примечания : Cited References: 11
Предметные рубрики: MANGANITES
Ключевые слова (''Своб.индексиров.''): 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
WOS,
Scopus,
Scopus,
Читать в сети ИФ
Найти похожие

20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ignatchenko V. A., Felk V. A.
Заглавие : Exchange narrowing of magnetic resonance linewidths in inhomogeneous ferromagnets
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2005. - Vol. 71, Is. 9. - Ст.94417. - ISSN 1098-0121, DOI 10.1103/PhysRevB.71.094417
Примечания : Cited References: 32
Предметные рубрики: AMORPHOUS FERROMAGNETS
RANDOM ANISOTROPY
NANOCRYSTALLINE
CRYSTALS
ALLOYS
Ключевые слова (''Своб.индексиров.''): 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.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие