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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pchelkina Z. V., Kondakov D. E., Anisimov V. I., Leonov I. V., Gavrichkov V. A. , Ovchinnikov S. G.
Заглавие : Ab initio calculation of the parameters and band structure of the multiband p-d model for La2CuO4
Место публикации : The Physics of Metals and Metallography. - 2006. - Т. 101, №1 suppl. - С. P. - ISSN 0031-918X, DOI 10.1134/S0031918X06130059. - ISSN 1531-8672(eissn)
Примечания : 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).
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : AIZENBERG L. A., KRAVTSOV B. A.
Заглавие : CALCULATION EXPERIMENT ON THE HIGH-RESOLUTION OF PHYSICAL DEVICES BY THE EXTRAPOLATION OF THE FOURIER SPECTRUM OF UNIDIMENSIONAL FINITE SIGNALS
Место публикации : Pisma Zhurnal Tek. Fiz.: MEZHDUNARODNAYA KNIGA, 1987. - Vol. 13, Is. 19. - P1193-1197. - ISSN 0320-0116
Примечания : Cited References: 6
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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.
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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
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Ovchinnikov S. G., Gavrichkov V. A., Nekrasov I. A., Pchelkina Z. V., Anisimov V. I.
Заглавие : Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates
Разночтения заглавия :авие SCOPUS: Application of the new LDA+GTB method for the band structure calculation of n-type cuprates
Место публикации : Physica B: ELSEVIER SCIENCE BV, 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P459-460. - ISSN 0921-4526, DOI 10.1016/j.physb.2006.01.340
Примечания : Cited References: 11
Предметные рубрики: SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Ключевые слова (''Своб.индексиров.''): 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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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.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Tyurnev V. V.
Заглавие : Electrodynamic calculation of effective electromagnetic parameters of a dielectric medium with metallic nanoparticles of a given size
Место публикации : J. Exp. Theor. Phys. - 2018. - Vol. 127, Is. 4. - P.608-619. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776118100114
Примечания : Cited References: 31. - This work was supported by the Ministry of Education and Science of the Russian Federation (contract no. 14.575.21.0142; unique identifier of the project is RFMEFI57517X0142).
Ключевые слова (''Своб.индексиров.''): electromagnetic fields--magnetic susceptibility--metals--nanoparticles--natural frequencies--permittivity
Аннотация: The frequency dependence of the effective complex permittivity and effective complex permeability of a heterostructure based on a dielectric medium containing metallic nanoparticles of spherical shape is calculated by an original method. In contrast to the Bruggeman [21] and the Maxwell Garnett [17] approaches, which use the quasi-static approximation in calculations, a nonuniform distribution of electromagnetic fields inside metallic particles is calculated, which allows the analysis of the electromagnetic parameters of the heterostructure not only as a function of frequency but also as a function of the nanoparticle size. It is shown that the plasmon resonant frequency decreases with increasing both the size and the concentration of particles in the heterostructure. It is also shown that a dielectric medium containing nonmagnetic metallic nanoparticles exhibits diamagnetic properties. In this case, the position of the maximum on the frequency dependence of the imaginary part of the magnetic susceptibility coincides with the relaxation frequency of charge carriers. The calculated spectra of the real and imaginary components of the permittivity of the heterostructure with a size of metallic particles less than 10 nm are in good agreement with Bruggeman calculations; however, the agreement with Maxwell Garnett calculations is observed only at nanoparticle concentrations lower than 10–6.
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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.
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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.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Andryushin N. D., Zinenko V. I., Pavlovskii M. S., Shinkorenko A. S.
Заглавие : Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6
Место публикации : J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P.1036-1044. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776119110013
Примечания : Cited References: 18. - This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00130-a)
Аннотация: Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.
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11.

Вид документа :
Шифр издания :
Автор(ы) : Korshunov M.A.
Заглавие : Calculation of spectrum of lattice fluctuations in nanocrystal p- dichlorbenzene
Место публикации : http://arxiv.org/cond-mat.mes-hall /submit/367513. . - 2011
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Krasnov P. O., Kozhevnikov T. A., Popov M. A.
Заглавие : Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes
Коллективы : Analytical departmental program "Development of Higher Education Potential" [2.1.1/2584]; Russian Foundation for Basic Research [09-02-00324-a]
Место публикации : Russ. J. Phys. Chem. B. - 2009. - Vol. 3, Is. 4. - P.679-683. - ISSN 1990-7931, DOI 10.1134/S1990793109040289
Примечания : Cited References: 27. - This work was supported by the analytical departmental program "Development of Higher Education Potential (2009-2100)" (grant 2.1.1/2584) and by the Russian Foundation for Basic Research, project no. 09-02-00324-a.
Предметные рубрики: MOLECULAR-HYDROGEN COMPLEXES
STORAGE
TEMPERATURE
TRANSITION
DYNAMICS
METALS
Аннотация: Complexes of zigzag-type carbon nanotubes (CNTs) with transition metal atoms, scandium and titanium, were studied. It was demonstrated that the energy of binding of both atoms with a carbon surface decreases whereas the rate of diffusion along the surface increases with increasing nanotube diameter. The rate constant of migration of scandium atoms over a CNT surface are several orders of magnitude higher than that for titanium atoms, because the CNT surface-Sc atom binding energy is substantially lower.
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13.

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.
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14.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Shubin A., Olshevskaya J., Kovaleva A., Tomilin F. N.
Заглавие : Choice of the DFT functional for calculation electronic properties of (CrFe)SiC MAX phases
Коллективы : International workshop on functional MAX-materials, Kirensky Institute of Physics, Siberian Federal Univercity
Место публикации : International workshop on the properties of functional MAX-materials (2nd FunMax): book of abstracts/ org. com. M. Farle [et al.]. - 2021. - P.47
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15.

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
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Boev N. M., Izotov A. V., Solovev P. N.
Заглавие : Domain structure and magnetization reversal in multilayer structures consisting of thin permalloy films separated with nonmagnetic interlayers
Коллективы : Ministry of Science and Higher EducationMinistry of Science and Higher Education, PolandEuropean Commission
Место публикации : Russ. Phys. J. - 2021. - Vol. 64, Is. 6. - P.1160-1167. - ISSN 1064-8887, DOI 10.1007/s11182-021-02436-w. - ISSN 1573-9228(eISSN)
Примечания : Cited References: 30. - This work was financially supported by the Ministry of Science and Higher Education under agreement No. 075-11-2019-054 November 22, 2019
Предметные рубрики: MICROMAGNETIC CALCULATION
MAGNETOMETER
SIMULATION
NOISE
Аннотация: Using numerical micromagnetic modeling, we have investigated the development of domain structure and magnetization reversal in multilayer thin-film structures. The permalloy (Ni80Fe20) magnetic layers had the inplane uniaxial and perpendicular magnetic anisotropy. We found that as the thickness of nonmagnetic interlayers decreases, the in-plane configuration of magnetic moments in the permalloy layers transforms from a single domain state to stripe domains, which is caused by the increase of magnetostatic interaction between layers. In structures with "thick" interlayers, even weak magnetostatic interaction enforces the neighboring single domain permalloy layers to have opposite orientations of magnetic moments. The saturation field of such samples increases linearly with the number of layers. By analyzing the dynamic characteristics of multilayers, we determined the optimum number of layers ensuring the maximum conversion efficiency of wideband microwave microstrip sensors of weak magnetic fields.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tomilin F. N., Shubin A. A., Kozak V. V., Ivanova D. A., Fedorova N. A., Ol’shevskaya Y. S., Kovaleva A. V., Avramov P. V., Ovchinnikov S. G.
Заглавие : Effect of substitution on magnetic moments of iron and chromium atoms in MAX phases of type (Cr4 – xFex)0.5SiC: Theoretical calculation
Место публикации : Phys. Met. Metallogr. - 2022. - Vol. 123, Is. 7. - P.640-644. - ISSN 0031918X (ISSN), DOI 10.1134/S0031918X22070195
Примечания : Cited References: 25. - The study is supported by the Russian Science Foundation (project no. 21-12-00226) and by the Interagency Supercomputer Center of the Russian Academy of Sciences (MVS-100K and MVS-10P)
Аннотация: MAX phases are a family of ternary layered compounds with formal stoichiometry M2AX and have a layered hexagonal structure. Calculations with the B3LYP density functional show that, by varying the ratio between the chromium and iron in the MAX phase (Cr4 – xFex)0.5SiC, it is possible to change the lattice parameters and the magnetic moment on metal atoms. In this phase, a partial substitution of one metal for the other can be considered a technique of intended variation of their magnetic properties.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylova S. N., Gudim I. A., Aleksandrovsky A. S., Vtyurin A. N., Krylov A. S.
Заглавие : Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations
Коллективы : Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [20-42-240009]
Место публикации : Ferroelectrics. - 2021. - Vol. 575, Is. 1. - P.11-17. - ISSN 0015-0193, DOI 10.1080/00150193.2021.1888219. - ISSN 1563-5112(eISSN)
Примечания : Cited References: 27. - This work was supported by the Russian Foundation for Basic Research Grant No. 20-42-240009
Предметные рубрики: HOFE3(BO3)4
TEMPERATURE
SPECTRA
GROWTH
Аннотация: NdFe3(BO3)4 and NdGa3(BO3)4 crystals are of great interest due to their physical properties. For example, NdFe3(BO3)4 crystal demonstrates magnetodielectric and magnetopiezoelectric effects, and NdGa3(BO3)4 crystal possesses luminescent and nonlinear optical properties. In this work, the properties of these materials are calculated by the plane-wave pseudo-potential method based on density functional theory. The structures of the crystals are optimized. The electronic structure of NdFe3(BO3)4 and NdGa3(BO3)4 are calculated.
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19.

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.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Korshunov M. M., Ovchinnikov S. G.
Заглавие : Doping dependent electronic structure of cuprates and the effective low energy Hamiltonian for the magnetic pairing
Коллективы : International Conference on New Theories, Discoveries and Applications of Superconductors and Related Materials
Место публикации : Int. J. Mod. Phys. B/ International Conference on New Theories, Discoveries and Applications of Superconductors and Related Materials (5 ; 2004 ; June ; 11-16 ; Chongqing, China). - 2005. - Vol. 19, Is. 1-3. - P.247-249. - ISSN 0217-9792, DOI 10.1142/S0217979205028335
Примечания : Cited References: 14
Предметные рубрики: COPPER OXIDES
SYMMETRY
MODEL
Ключевые слова (''Своб.индексиров.''): 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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