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

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vtyurin A. N., Krylov A. S., Goryainov S. V., Krylova S. N., Oreshonkov A. S., Voronov V. N.
Заглавие : A raman study of hydrostatic pressure induced phase transitions in Rb2KInF6 crystals
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 5. - P.934-936. - ISSN 1063-7834, DOI 10.1134/S1063783412050472
Примечания : Cited References: 16. - This study was supported by the Russian Foundation for Basic Research (project nos. 11-02-98002-r_sibir' and 09-02-00062), the Siberian Branch of the Russian Academy of Sciences (integration project no. 101), and the Council on Grants from the President of the Russian Federation (grant no. HSh-4645.2010.2).
Предметные рубрики: LATTICE-DYNAMICS
ELPASOLITES
SPECTRA
Аннотация: The Raman spectra of the elpasolite (Rb2KInF6) crystal have been studied in the pressure range from 0 to 5.3 GPa at a temperature of 295 K. A phase transition at a pressure of approximately 0.9 GPa has been found. An analysis of the variations in the spectral parameters has led to the conclusion that the phase transition to a distorted phase is accompanied by the doubling of the volume of the primitive cell of the initial cubic phase. Numerical calculations of the lattice dynamics in the Rb2KInF6 crystal have been performed. The numerical simulation has established that the phase transition at a pressure of 0.9 GPa is associated with condensation of the F (lg) mode. A probable high-pressure phase is the phase with space group C2/m.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrakovskaya E. A., Bulina N. V., Churilov G. N., Puzyr' A. P.
Заглавие : A study of the synthesis products of fullerenes with nickel and cobalt
Место публикации : Tech. Phys.: AMER INST PHYSICS, 2001. - Vol. 46, Is. 1. - P42-46. - ISSN 1063-7842, DOI 10.1134/1.1340883
Примечания : Cited References: 15
Предметные рубрики: COMPLEXES
SPECTRA
Аннотация: Qualitative analysis of the products of plasmochemical synthesis of fullerenes with metallic nickel and cobalt has been carried out using electron paramagnetic resonance (EPR) and electron microscopy. These studies show that the synthesis products are mainly fullerenes, metallic nanoparticles coated with an insulating layer, and isolated atomic clusters. (C) 2001 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ershov A. A., Oreshonkov A. S., Shestakov N. P., Aleksandrovsky A. S., Vtyurin A. N.
Заглавие : Absorption spectra of PrF3 crystal
Коллективы : Russia-China workshop on dielectric and ferroelectric materials, Российская академия наук, Воронежский государственный технический университет
Место публикации : The Second Rus.-China Workshop on Dielectic and Ferroel. Mater.: program. - 2015. - Ст.P6.3. - P.82: abstract book
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Begunovich L. V., Kovaleva E. A., Korshunov M. M., Shabanov V. F.
Заглавие : Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: A DFT study of the B800 part
Колич.характеристики :7 с
Место публикации : J. Photochem. Photobiol. A: Chem. - 2024. - Vol. 450. - Ст.115454. - ISSN 10106030 (ISSN), DOI 10.1016/j.jphotochem.2023.115454. - ISSN 18732666 (eISSN)
Примечания : Cited References: 42. - This work was supported by the state assignment of the Ministry of Science and Higher Education of the Russian Federation. Authors would like to thank Information Technology Centre, Novosibirsk State University for providing access to their supercomputers. L.V.B. would like to thank Irkutsk Supercomputer Center of SB RAS for providing the access to HPC-cluster «Akademik V.M. Matrosov» (Irkutsk Supercomputer Center of SB RAS, Irkutsk: ISDCT SB RAS; http://hpc.icc.ru, accessed 20.10.2023)
Аннотация: We’ve studied the B800 part of Rhodoblastus acidophilus light-harvesting complex (LH2) by several quantum chemical techniques based on the density functional theory (DFT) and determined the specific method and a minimal reliable model suitable for further studies of the LH2. In addition to bacteriochlorophyll a molecules, the minimal model includes two α and one β chain amino acids. Within the model, we are able to reproduce the contribution of the B800 ring of nine bacteriochlorophyll a molecules to the near infrared Qy absorption band. We also discuss the use of hybrid DFT calculations for precise energy and optical estimations and DFT-based tight binding (DFTB) method for the large-scale calculations. Crucial importance of Hartree-Fock exchange interaction for the correct description of B800 peak position was shown.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : EDELMAN I. S., GALANOV E. K., KOKOV I. T., MALAKHOVSKII A. V., ANISTRATOV A. T.
Заглавие : ABSORPTION-SPECTRA AND FARADAY-EFFECT IN CS2NANDCL6 AND CS2NAPRCL CRYSTALS
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1985. - Vol. 27, Is. 11. - P3467-3470. - ISSN 0367-3294
Примечания : Cited References: 8
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Artyushenko P. V., Tomilin F. N., Kuzubov A. A., Ovchinnikov S. G., Tsikalova P. E., Ovchinnikova T. M., Soukhovolsky V. G.
Заглавие : Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects
Коллективы : RFBR [13-04-00375, 16-04-00132]
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 57, Is. 2. - P.287-293. - ISSN 0022-4766, DOI 10.1134/S0022476616020074. - ISSN 1573-8779(eISSN)
Примечания : Cited References:27. - This work was supported by RFBR projects Nos. 13-04-00375 and16-04-00132.
Предметные рубрики: Monochamus-galloprovincialis coleoptera
Density-functional theories
Beetle Ips-typographus
Pine sawyer beetle
Aggregation pheromone
Cerambycidae
Attraction
Components
Attack
Set
Ключевые слова (''Своб.индексиров.''): atomic and electronic structure--functional density methods--absorption--spectra--excited states--xylophages--pheromones
Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lyashchenko S. A., Popov Z. I., Varnakov S. N., Popov E. A., Molokeev M. S., Yakovlev I. A., Kuzubov A. A., Ovchinnikov S. G., Shamirzaev T. S., Latyshev A. V., Saranin A. A.
Заглавие : Analysis of optical and magnetooptical spectra of Fe5Si3 and Fe3Si magnetic silicides using spectral magnetoellipsometry
Коллективы : Ministry of Education and Science of the Russian Federation [16.663.2014K, 14.604.21.0002 (RFMEFI60414X0002), 02.G25.31.0043], Russian Foundation for Basic Research [13-02-01265, 14-02-31309]
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 120, Is. 5. - P.886-893. - ISSN 1063, DOI 10.1134/S1063776115050155. - ISSN 10906509(eISSN)
Примечания : Cited References:31. - This study was financially supported by the Ministry of Education and Science of the Russian Federation (state assignment no. 16.663.2014K, agreement no. 14.604.21.0002 (RFMEFI60414X0002), and contract no. 02.G25.31.0043), the Program is Support of Leading Scientific Schools (project no. NSh-2886.2014.2), and the Russian Foundation for Basic Research (project nos. 13-02-01265 and 14-02-31309).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
AUGMENTED-WAVE METHOD
FILMS
ELLIPSOMETRY
Аннотация: The optical, magnetooptical, and magnetic properties of polycrystalline (Fe5Si3/SiO2/Si(100)) and epitaxial Fe3Si/Si(111) films are investigated by spectral magnetoellipsometry. The dispersion of the complex refractive index of Fe5Si3 is measured using multiangle spectral ellipsometry in the range of 250–1000 nm. The dispersion of complex Voigt magnetooptical parameters Q is determined for Fe5Si3 and Fe3Si in the range of 1.6–4.9 eV. The spectral dependence of magnetic circular dichroism for both silicides has revealed a series of resonance peaks. The energies of the detected peaks correspond to interband electron transitions for spin-polarized densities of electron states (DOS) calculated from first principles for bulk Fe5Si3 and Fe3Si crystals.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivanova N. B., Kazak N. V., Markov V. V., Ovchinnikov S. G., Rudenko V. V., Abd-Elmeguid M. M.
Заглавие : Analysis of the electrical and optical properties of VBO3 single crystals and Fe1-xVxBO3 solid solutions on the basis of a many-electron model of energy band structure
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2004. - Vol. 46, Is. 8. - P1462-1468. - ISSN 1063-7834, DOI 10.1134/1.1788779
Примечания : Cited References: 32. - One of the authors (M.M.A.) would like to thank the Deutsche Forschungsgemeinschaft (SFB608) for financial support. This study was supported by the Russian Foundation for Basic Research (project no. 03-02-16286), the program "Integration" (project no. B0017), and the program of the Division of Physical Sciences of the Russian Academy of Sciences "Strongly Correlated Electrons"
Предметные рубрики: MAGNETIC-PROPERTIES
CALCITE STRUCTURE
PHASE-TRANSITION
FERRIC BORATE
HIGH-PRESSURE
FEBO3
FE1-XCRXBO3
FERROMAGNET
MOSSBAUER
SPECTRA
Аннотация: A many-electron model of the energy band structure of VBO3 and of Fe1 - xVxBO3 solid solutions is proposed with strong electron correlations taken into account. Experimental optical absorption spectra and data on the resistivity are discussed in the framework of the suggested model. Variation in the magnetic and electronic properties of VBO3 and Fe1 - xVxBO3 under high pressure is predicted. For VBO3, a Mott-Hubbard (insulator-metal) transition is expected in the high-pressure phase. In Fe1 - xVxBO3 solid solutions, a nontrivial variation in the properties is predicted, leading to the appearance of a different magnetic state. (C) 2004 MAIK "Nauka / Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Platunov M. S., Varnakov S. N., Zharkov S. M., Bondarenko G. V., Weschke E., Schierle E., Ovchinnikov S. G.
Заглавие : Analysis of the structure and magnetic properties of an interface in multilayered (Fe/Si) N nanostructures with the surface-sensitive XMCD method
Коллективы : Russian Foundation for Basic Research [13-02-01265a, 14-02-31051mol-a]; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh- 2886.2014.2]; Presidium of the Russian Academy of Sciences [24.34]; Ministry of Education and Science of the Russian Federation [02.G25.31.0043]
Место публикации : JETP Letters. - 2014. - Vol. 99, Is. 12. - P.706-711. - ISSN 0021-3640, DOI 10.1134/S002136401412011X. - ISSN 1090-6487
Примечания : Cited References: 26. - We are grateful to S.V. Komogortsev for stimulating discussions and to the management of BESSY II, Helmholtz-Zentrum Berlin, for the opportunity of performing experiments at the UE46-PGM1 beamline. This work was supported by the Russian Foundation for Basic Research (project nos. 13-02-01265a and 14-02-31051mol-a), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh- 2886.2014.2), by the Presidium of the Russian Academy of Sciences (program no. 24.34), and by the Ministry of Education and Science of the Russian Federation (state contract no. 02.G25.31.0043 and state task for research at Siberian Federal University in 2014).
Предметные рубрики: RAY CIRCULAR-DICHROISM
YIELD
SPECTRA
Fe
Аннотация: The structural and magnetic properties of (Fe/Si) N nanostructures obtained by successive deposition on the SiO2/Si(100) surface at a temperature of the substrate of 300 K have been studied. The thicknesses of all Fe and Si layers have been determined by transmission electron microscopy measurements. The magnetic properties have been studied by the X-ray magnetic circular dichroism (XMCD) method near the Fe L 3, 2 absorption edges. The orbital (m l ) and spin (m S ) contributions to the total magnetic moment of iron have been separated. The thicknesses of magnetic and nonmagnetic iron silicide on the Si/Fe and Fe/Si interfaces have been determined with the surface sensitivity of the XMCD method and the model of the interface between the nonmagnetic and weakened magnetic phases.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovkina E. V., Krylova S. N., Vtyurin A. N., Krylov A. S.
Заглавие : Analyzing the symmetry of the Raman spectra of crystals according to angular dependences
Колич.характеристики :6 с
Место публикации : Bull. Russ. Acad. Sci. Phys. - 2024. - Vol. 88, Is. 5. - P.773-778. - ISSN 10628738 (ISSN), DOI 10.1134/S1062873824706573. - ISSN 19349432 (eISSN)
Примечания : Cited References: 32. - This work was supported by the Russian Foundation for Basic Research, project no. 21-52-12018. The authors are grateful to Dr. Irena Senkovska for providing our DUT-8(Ni) samples
Аннотация: The authors propose a way of reconstructing the Raman tensor by studying the angular dependences of the intensities of the Raman lines of unoriented microcrystals. The technique is verified using familiar calomel Hg2Cl2 crystals. It is shown that the lines on DUT-8 (Ni) crystals indicating phases with open and closed pores have different types of symmetries. The technique can be used to reconstruct the Raman tensor for any unoriented crystalline sample.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Myslivets S. A.
Заглавие : Transmission and reflection spectra of a photonic crystal with a Raman defects
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 111, Is. 6. - P898-906. - ISSN 1063-7761, DOI 10.1134/S1063776110120022
Примечания : Cited References: 37. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-7810.2010.3), the Presidium of the Russian Academy of Sciences (project no. 27.1), the Ministry of Education and Science of the Russian Federation (state contract no. 02.740.11.0220), and the Siberian Branch, Russian Academy of Sciences (integration project no. 5).
Предметные рубрики: ELECTROMAGNETICALLY INDUCED TRANSPARENCY
SLOW-LIGHT
NONLINEAR OPTICS
MICROCAVITIES
LASERS
AMPLIFIER
MODES
Ключевые слова (''Своб.индексиров.''): group velocities--high frequency hf--microwatts--nonlinear refractive index--one dimensional photonic crystal--probe field--pump intensities--raman gain--raman resonances--reflection spectra--spectral position--three level atoms--transmission spectrums--defects--dispersion (waves)--probes--pumping (laser)--pumps--refractive index--resonance--photonic crystals
Аннотация: Features of Raman gain of probe radiation in three-level atoms placed in a defect of a one-dimensional photonic crystal in the presence of laser radiation (pump) at an adjacent high-frequency transition have been theoretically investigated. It has been shown that there is a pump intensity range where narrow peaks (resonances) simultaneously appear in the transmission and reflection spectra of the probe field. Beyond this region, the peak in the transmission spectrum is transformed to a narrow dip. The spectral position of these peaks is determined by the Raman resonance and the transmittance and reflectance can be larger than unity at pump intensities from several microwatts per square centimeter to several tens of milliwatts per square centimeter. The nature of narrow peaks is due to a sharp dispersion of a nonlinear refractive index near the Raman resonance; this dispersion is responsible for a strong decrease in the group velocity of probe radiation. The proposed scheme makes it possible to obtain controlled ultranarrow resonances in the transmission and reflection spectra of the photonic crystal.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Myslivets S. A.
Заглавие : Transmission and reflection spectra of a Raman induced grating in atomic media
Коллективы : International Conference “Basic Problems of Optics” (VIII; October 20–24, 2014; St. Petersburg)
Место публикации : Opt. Spectrosc.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 119, Is. 5. - P.770-775. - ISSN 0030-400X, DOI 10.1134/S0030400X1511003X
Примечания : Cited References: 19. - This work was supported by the Russian Foundation for Basic Research, project no. 15-02-03959
Предметные рубрики: ELECTROMAGNETICALLY INDUCED TRANSPARENCY
OPTICS
Аннотация: The spectral properties of an electromagnetically induced grating that is based on the spatial modulation of the Raman gain in the field of a standing pump wave in a three-level homogeneous medium have been discussed. It has been shown that, by varying the intensity or the frequency of the pump field, one can control the transmission and reflection spectra, while the transmission and reflection coefficients of the probe (Raman) wave can simultaneously be greater than unity. The influence of the nonideality of the standing wave on the spectral characteristics of the grating has been studied. © 2015, Pleiades Publishing, Ltd.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Sakai S., Ohtomo M., Entani S., Matsumoto Y., Eleseeva N. S., Pomogaev V. A., Naramoto H.
Заглавие : Atomic structure and physical properties of fused porphyrin nanoclusters
Коллективы : JAEA Research fellowship; Russian Scientific Foundation [14-13-00139]
Место публикации : J. Porphyr. Phthalocyanines: World Scientific Publishing, 2014. - Vol. 18, Is. 7. - P.552-568. - ISSN 1088-4246, DOI 10.1142/S1088424614500291. - ISSN 1099-1409
Примечания : Cited References: 66. - This work was supported by JAEA Research fellowship (P. V. A.). P. V. A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. This work was supported by the Russian Scientific Foundation, Project No. 14-13-00139. Authors are grateful for Prof. S. G. Ovchinnikov for fruitful discussions.
Предметные рубрики: AUGMENTED-WAVE METHOD
HOLONOMIC QUANTUM COMPUTATION
INITIO MOLECULAR-DYNAMICS
VAPOR ABSORPTION SPECTRA
BORON-NITRIDE NANOTUBES
ELECTRONIC-STRUCTURE
REDOX REACTIONS
EXCITED-STATES
SPIN-STATES
GRAPHENE
Ключевые слова (''Своб.индексиров.''): nanoclusters--fused porphyrins--electronic structure--mechanical properties
Аннотация: The atomic and electronic structures, mechanical properties and potential barriers of formation of a set of meso–meso β–β fused porphyrin/metalloporphyrin nanopages, nanotapes, nanotubes and 2D nanofabrics were studied by GGA LC-DFT technique using cluster and PBC models. The porphyrin pages of the nanoclusters are connected with each other by graphene fragments formed by meso–meso β–β links. Fusion of all the edges of six porphyrin/metalloporphyrin units produces a novel ~ 1 nm sized molecule of cubic symmetry with a hollow cage inside. It was found that all studied nanoclusters are metastable with formation energies 0.36–7.57 kcal/mol per atom. Under applied mechanical stress, the nanoclusters exhibit superelastic and ultrastrong properties with binding graphene fragments being the weakest links for mechanical rupture. Depending on the spin-dependent reaction pathways, the hollow caged nanoclusters exhibit almost zero or low potential energy barriers (1–10 kcal/mol) during the initial stages of self-assembly. All nanoclusters exibit the main features of the electronic structures of the parent porphyrins, in particular the nature of HOMO/LUMO states and the relative energetic positions of the metal d states. The induced curvature of the hollow cage nanoclusters leads to admixture of more than 2% of the dπ⊥ states to the dσ energy region and formation of vacant superatomic molecular orbitals of d character in cubic ligand field. The Fe-derived hollow-caged nanoclusters reveal extremely high spin states with small energy differences between ferromagnetic and antiferromagnetic configurations, which can be utilized for quantum holonomic computations.
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14.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Burmitskikh A. V., Belyaev B. A., Boev N. M., Kleshnina S. A.
Заглавие : Automated measuring system for studying ferromagnetic resonance spectra in the radio frequency range
Коллективы : Ural Symposium on Biomedical Engineering, Radioelectronics and Information Technology, Уральский симпозиум IEEE по биомедицинской инженерии, радиоэлектронике и информационным технологиям
Место публикации : Ural symposium on biomedical engineering, radioelectronics and information technology (USBEREIT): Proceedings/ Ural Symposium on Biomedical Engineering, Radioelectronics and Information Technology (2021 ; May 13-14 ; Yekaterinburg (Hybrid event)): IEEE, 2021. - P.0267-0271. - DOI 10.1109/USBEREIT51232.2021.9455019
Примечания : Cited References: 13
Аннотация: The automated system for measuring ferromagnetic resonance spectra in the radio frequency range has been developed for measuring magnetic characteristics of thin films. The system allows measuring the spectrum of ferromagnetic resonance at a frequency of 12 MHz with a field step of 0.01 Oe (constant or variable) and with 0.0125° angle resolution. Automatic determination of the anisotropy field and automatic sensitivity adjustment of the measuring system allows obtaining data from permalloy thin magnetic films samples with thickness less than 50 nm. Measurements can be carried out with different directions of external magnetic fields (in the plane of the TMF sample) and with rotation of the sample in the external magnetic field. This is achieved by the independent automatic rotation of the sample and high-frequency Helmholtz coils. Processing and transmission of the received data in the digital form provides automatic processing and representation of measurement results on the PC screen. The measurement results can be used for TMF study, assessing the quality, rejection and further use in finished devices.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Effects of strong electron correlations in X-ray and electron spectra of high-T-c superconductors
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 5. - P788-809. - ISSN 1063-7834, DOI 10.1134/1.1131293
Примечания : Cited References: 92
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTORS
COPPER-OXIDE SUPERCONDUCTORS
MULTIPLE-SCATTERING ANALYSIS
HIGH-ENERGY SPECTROSCOPY
ABSORPTION-SPECTRA
PHOTOELECTRON-SPECTRA
EDGE STRUCTURE
PHOTOEMISSION SPECTRA
INCOMPLETE SHELL
SINGLE-CRYSTAL
Аннотация: The current state of theoretical and experimental studies on the electronic structure of high-T-c superconductors is analyzed. The agreement between the theory and experimental spectroscopic data is shown to be rather poor in certain cases. The reason is that the X-ray and electronic spectra reveal strong electron correlations. At the same time, no realistic model has been developed up to now in which both one-electron and multielectron mechanisms of the formation of the spectra could be described in a unified way in compounds containing transition and rare-earth elements. In this paper, particular attention is paid to a sudden-perturbation model, by which it has been possible to describe or interpret some X-ray and electronic spectra, including both one-electron and multielectron effects. (C) 2000 MAIK "Nauka/Interperiodica".
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Effects of the intense electron correlations on the shape of x-ray CuK absorption spectra of La2-xSrxCuO4
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 108, Is. 4. - P.1479-1488. - ISSN 0044-4510
Примечания : Cited References: 28
Предметные рубрики: HIGH-TC SUPERCONDUCTIVITY
EDGE STRUCTURE
LA2CUO4
SATELLITES
ALPHA
EXCITATIONS
COPPER
OXIDES
STATE
SHAKE
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Influence of strong electron correlations on the form of the x-ray Cu K absorption spectra of La2-xSrxCuO4
Место публикации : J. Exp. Theor. Phys. - 2011. - Vol. 81, Is. 4. - P.811-816. - ISSN 1063-7761
Примечания : Cited References: 24. - We thank the Scientific Council for the Problem of HighTemperature Superconductivity for support under Project
Аннотация: The influence of strong electron correlations on the x-ray Cu K absorption spectra has been investigated using the extended p-d model and the sudden approximation. The structure of the vacant above-threshold single-electron Cu p states has been modeled by the SCF X, scattered wave method. It has been shown that the Cu K spectrum is determined by a convolution of the spectra of single-electron absorption by vacant orbitals below and above the ionization threshold and of many-electron transitions within the system of valence electrons. This makes it possible to attribute the main peak of the Cu K spectrum of La2Cu04 to the Cu dlOL configuration and the single high-energy satellite to the Cu d9 configuration. The LaSrCu04 spectrum has been calculated with allowance for both singlet and triplet two-hole states of the CuO, cell. Comparison with experimental data reveals that the main two-hole state is a triplet, which also forms the absorption spectrum consisting of the main maximum corresponding to the Cu ~'OLL configuration and two satellites corresponding to the Cu d9L and Cu d8 configurations. All the theoretical spectra obtained agree well with the experimental data. O 1995 American Institute of Physics.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Non-diagram transitions in polarized X-ray absorption CuL(3) spectra of HTSC-ceramics
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1996. - Vol. 38, Is. 11. - P3226-3240. - ISSN 0367-3294
Примечания : Cited References: 28
Предметные рубрики: HIGH-TC SUPERCONDUCTIVITY
LA2CUO4
ALPHA
SATELLITES
STATES
OXIDES
XANES
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : The strong electron correlation effects in XAFS spectra of HTSC cuprates
Место публикации : J. Phys. IV. - 1997. - Vol. 7: 9th International Conference on X-Ray Absorption Fine Structure (AUG 26-30, 1996, GRENOBLE, FRANCE), Is. C2. - P.183-185. - ISSN 1155-4339
Примечания : Cited References: 11
Предметные рубрики: X-RAY-ABSORPTION
MULTIPLE-SCATTERING ANALYSIS
EDGE STRUCTURE
LA2CUO4
XANES
Аннотация: Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF X alpha- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum of La2CuO4 was aligned to the Cud(10) (L) under bar configuration and the single satellite line was aligned to the Cud(9). Comparison of the theoretical data with the experimental ones shows that the ground state of the two-holes in the CuO4 doped cell is triplet. The last conclusion has been confirmed by analysis of CuL2,3-spectra of two-hole impurity states of doped CuO4 cell. Another interesting future of CuL2,3-spectra a peak 2.8 eV higher the threshold was aligned to the transitions into quasi-stationary states due to existence of a high barrier in the Cud-state potential.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Underestimating the width of the bandgap in the electronic spectra of La2CuO4
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1997. - Vol. 39, Is. 3. - P389-391. - ISSN 1063-7834, DOI 10.1134/1.1129865
Примечания : Cited References: 9
Предметные рубрики: SUPERCONDUCTIVITY
Аннотация: It is shown that the width of the bandgap determined by the simultaneous analysis of the experimental photoelectron and inverse photoemission spectra of the surface of La2CuO4 using a common energy scale is underestimated by 1 eV. The electronic and satellite structures of the spectra of La2CuO4 are calculated on the basis of the multiband p-d model and the sudden perturbation approximation. It is shown that shakedown processes shift the one-electron contour of the final two-hole configuration of the photoelectron spectrum 1 eV down the energy scale and shift the contour of the final d(10) configuration of the inverse photoemission spectrum downward by 2 eV; these shifts cause the energy splitting between the filled and empty bands to be underestimated. (C) 1997 American Institute of Physics.
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