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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aksenov S. V., Zlotnikov A. O., Shustin M. S.
Заглавие : Majorana modes in BDI-class wire with strong Coulomb correlations [Electronic resource]
Место публикации : ArXiv. - 2019. - Ст.1911.01035
Вид и объем ресурса: Electronic text data
Примечания : Cited References: 55. - We acknowledge fruitful discussions with V.V. Valkov and V.A. Mitskan. The reported study was funded by the RAS Presidium programs for fundamental research Nos. 12 and 32, Russian Foundation for Basic Research (projects Nos. 18-32-00443, 19-02-00348), Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects: ”The manifestation of Coulomb interactions and effects of bounded geometry in the properties of topological edge states of nanostructures with spin-orbit interaction” (No. 18-42-243017), ”Coulomb interactions in the problem of Majorana modes in low-dimensional systems with nontrivial topology” (No. 19-42-240011). S.A. and A.Z. are grateful to the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools, projects Nos. MK-3722.2018.2, MK-3594.2018.2.
Предметные рубрики: Mesoscale and Nanoscale Physics
Strongly Correlated Electrons
Superconductivity
Аннотация: In this study the problem of strong Coulomb interactions in topological superconducting wire is analyzed by means of the density-matrix-renormalization-group (DMRG) approach. To obtain the topological phase diagrams and analyze properties of edge states in the BDI-class structure the quantity called Majorana polarization is used. Its behavior agrees with the entanglement-spectrum degeneracy which has topological nature. The DMRG calculations for the Shubin-Vonsovsky-type model of the wire show the transformation of phases with Majorana single and double modes (MSMs and MDMs, respectively) under the increase of on- and inter-site correlations. In particular, the effects of MSM and MDM robustness as well as their induction are observed. It is shown that in the strongly correlated regime the contributions of single-particle excitations to the Majorana-type states significantly decrease if averaged on-site spin-dependent concentrations have comparable values. Moreover, the t−J∗−V-model is derived allowing to study the effective interactions and improve the DMRG numerics. In order to demonstrate the key role of spin and charge fluctuations in the revealed effects we analytically consider the limiting case of the effective Hamiltonian with infinitely strong on-site repulsion using the Hubbard-I approximation. Finally, the ways to probe the MSMs and MDMs via the features of caloric functions are discussed.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lundin U., Sandalov I., Eriksson O., Johansson B.
Заглавие : Are there two types of f-electrons in Pr-metal?
Коллективы : International Conference on Strongly Correlated Electron Systems
Место публикации : Physica B. - 1999. - Vol. 259-61. - P.231-232. - ISSN 0921-4526, DOI 10.1016/S0921-4526(98)00790-X
Примечания : Cited References: 1
Предметные рубрики:
Ключевые слова (''Своб.индексиров.''): band calculations--hubbard model--f-electrons
Аннотация: We show that in order to properly describe the bonding properties of strongly correlated systems, here demonstrated for praseodymium metal, it is necessary to split the f-electron system into two parts. Using perturbation theory from the atomic limit we show that LDA-based calculations with f-electrons in the core can be considered as the limit of an infinite Hubbard U. Then, the correction to the total energy proportional to 1/U makes the upper f(2)--f(3) intra-atomic transitions (IT) important. Mixing interaction and f-f-hopping delocalize these IT and some of them become populated. These IT give an additional contribution to the cohesive energy. This gain in energy is the reason for the separation of the f-electron system into localized (with reduced spectral weight) and delocalized ones. (C) 1999 Elsevier Science B.V. All rights reserved.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P. B., Ovchinnikov S. G., Avramov P. V., Chernozatonskii L.A., Fedorov D.G.
Заглавие : Atypical quantum confinement effect in silicon nanowires
Место публикации : J. Phys. Chem. A. - WASHINGTON: AMER CHEMICAL SOC, 2008. - Vol. 112, Is. 40. - С. 9955-9964. - OCT 9. - ISSN 1089-5639, DOI 10.1021/jp805069b
Примечания : Cited Reference Count: 25. - Гранты: This work was in part partially 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 Technology Agency (JST) as well as by Russian Fund of Basic Researches (grant 08-02-01096) (L.A.C.). P.V.A. acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute for Fundamental Chemistry. The geometry of all presented structures was visualized by ChemCraft software.SUP25/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations.Финансирующая организация: Japan Science and Technology Agency (JST); Russian Fund of Basic Researches [08-02-01096]
Предметные рубрики: ELECTRONIC-STRUCTURE
OPTICAL-PROPERTIES
SI
DENSITY
WIRES
EXCHANGE
ATOMS
DOTS
Ключевые слова (''Своб.индексиров.''): electric wire--energy gap--gallium alloys--mathematical models--nanostructured materials--nanostructures--nanowires--quantum confinement--quantum electronics--semiconductor quantum dots--silicon--ami methods--band gaps--blue shifts--dinger equations--linear junctions--monotonic decreases--quantum confinement effects--quantum dots--semiempirical--silicon nanowires--system sizes--theoretical models--nanocrystalline silicon--nanowire--quantum dot--silicon--article--chemistry--electron--quantum theory--electrons--nanowires--quantum dots--quantum theory--silicon
Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue shift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Baksheev N. V., Mushailov E. S.
Заглавие : Spin reorientation effect of conductive electrons in iron matrix doped with cobalt
Место публикации : Fiz. Tverd. Tela. - 1981. - Vol. 23, Is. 2. - P.631-633. - ISSN 0367-3294
Примечания : Cited References: 9
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berman G. P., Kolovsky A. R., Zaslavsky G. M.
Заглавие : A non-linear resonance in a system of surface-state electrons bound to the helium surface
Место публикации : Phys. Lett. A. - 1984. - Vol. 105, Is. 9. - P.483-486. - ISSN 0375-9601, DOI 10.1016/0375-9601(84)91042-9
Примечания : Cited References: 24
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Berman G. P., Zaslavsky G. M., Kolovsky A. R.
Заглавие : Nonlinear resonance and stochasticity in a system of surface electrons
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz. - 1985. - Vol. 88, Is. 5. - P.1551-1559. - ISSN 0044-4510
Примечания : Cited References: 25
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Boldyrev K. N., Stanislavchuk T. N., Sirenko A. A., Kamenskyi D., Bezmaternykh L. N., Popova M. N.
Заглавие : Bifurcations of coupled electron-phonon modes in an antiferromagnet subjected to a magnetic field
Место публикации : Phys. Rev. Lett.: American Physical Society, 2017. - Vol. 118, Is. 16. - Ст.167203. - ISSN 00319007 (ISSN), DOI 10.1103/PhysRevLett.118.167203
Примечания : Cited References: 26. - This research was supported by the Russian Scientific Foundation under Grant No. 14-12-01033, the President of Russian Federation (MK-3577.2017.2, K. N. B.), and the U.S. Department of Energy under Grant No. DE-FG02-07ER46382 (experiments at U4-IR beam line NSLS-BNL, T. N. S. and A. A. S.). The National Synchrotron Light Source is operated as a user facility for the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. Part of this work was supported by EMFL (Contract No. 26211). M. N. P. thanks B. Z. Malkin and A. V. Popov for helpful discussions.
Ключевые слова (''Своб.индексиров.''): antiferromagnetic materials--bifurcation (mathematics)--electron-phonon interactions--electrons--magnetic fields--magnetism--temperature--antiferromagnetic crystals--bifurcation points--electron phonon couplings--electronic excitation--external magnetic field--field independents--low temperatures--reflection spectra--phonons
Аннотация: We report on a new effect caused by the electron-phonon coupling in a stoichiometric rare-earth antiferromagnetic crystal subjected to an external magnetic field, namely, the appearance of a nonzero gap in the spectrum of electronic excitations in an arbitrarily small field. The effect was registered in the low-temperature far-infrared (terahertz) reflection spectra of an easy-axis antiferromagnet PrFe3(BO3)4 in magnetic fields Bext-c. Both paramagnetic and magnetically ordered phases (including a spin-flop one) were studied in magnetic fields up to 30 T, and two bifurcation points were observed. We show that the field behavior of the coupled modes can be successfully explained and modeled on the basis of the equation derived in the framework of the theory of coupled electron-phonon modes, with the same field-independent electron-phonon interaction constant |W|=14.8 cm-1. © 2017 American Physical Society.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Borisov A. A., Gavrichkov V. A., Ovchinnikov S. G.
Заглавие : Doping dependence of the band structure and chemical potential in cuprates by the generalized tight-binding method
Коллективы : International Conference on Modern Problems in Superconductivity
Место публикации : Mod. Phys. Lett. B/ International Conference on Modern Problems in Superconductivity (3 ; 2002 ; Sept. ; 9-14 ; Yalta, Ukrain). - 2003. - Vol. 17, Is. 10-12. - P.479-486. - ISSN 0217-9849, DOI 10.1142/S0217984903005500
Примечания : Cited References: 12
Предметные рубрики: CORRELATED ELECTRONS
SUPERCONDUCTIVITY
OXIDES
Аннотация: Quasiparticle band structure in hole doped CuO2 layer is calculated with account for strong electron correlations in the framework of multiband p-d model. For undoped layer we obtain the charge-transfer antiferromagnetic insulator. With doping unusual impurity-like quasiparticle appears at the top of the valence band with spectral weight proportional to doping concentration. In the overdoped regime the band structure in the paramagnetic phase results in the doping dependent Fermi surface in agreement to ARPES data.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Sadreev A. F.
Заглавие : Spin rotation for ballistic electron transmission induced by spin-orbit interaction
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2002. - Vol. 66, Is. 7. - Ст.75331. - ISSN 1098-0121, DOI 10.1103/PhysRevB.66.075331
Примечания : Cited References: 18
Предметные рубрики: 2-DIMENSIONAL ELECTRONS
WAVE-GUIDES
TRANSPORT
Аннотация: We study spin-dependent electron transmission through one- and two-dimensional curved waveguides and quantum dots with account of spin-orbit interaction. We prove that for a transmission through an arbitrary structure there is no spin polarization provided the electron transmits in an isolated energy subband and only two leads are attached to the structure. In particular there is no spin polarization in the one-dimensional wire, for which a spin-dependent solution is found analytically. The solution demonstrates the spin evolution as dependent on a length of wire. The numerical solution for transmission of electrons through the two-dimensional curved waveguides coincides with the solution for the one-dimensional wire if the energy of electron is within the first energy subband. In the vicinity of edges of the energy subbands there are sharp anomalies of spin flipping.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Partzsch S., Hamann-Borrero J. E., Mazzoli C., Herrero-Martin J., Vasiliev A., Bezmaternykh L. N., Buchner B., Geck J.
Заглавие : Control of the magnetic phase coexistence in NdFe3(BO3)4 by electric fields [Electronic resource]
Место публикации : Cornell university library. - 2015. - 15 Apr. - Ст.1504.03848v1
Вид и объем ресурса: Электрон. текстовые дан.
Примечания : Библиогр.: 27 назв.
Предметные рубрики: Condensed Matter-- Strongly Correlated Electrons
Аннотация: We present a resonant x-ray diffraction study of the magnetic order in NdFe3(BO3)4 and its coupling to applied electric fields. Our high-resolution measurements reveal A coexistence of two different magnetic phases, which can be triggered effectively by external electric fields. More in detail, the volume fraction of the collinear magnetic phase is found to strongly increase at the expense of helically ordered regions when an electric field is applied. These results confirm that the collinear magnetic phase is responsible for the ferroelectric polarization of NdFe3(BO3)4 and, more importantly, demonstrate that magnetic phase coexistence provides an alternative route towards materials with a strong magnetoelectric response.
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11.

Вид документа : Статья из журнала (Препринт)
Шифр издания :
Автор(ы) : Kuz'min V. I., Visotin M. A., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Doping and temperature evolution of pseudogap and spin-spin correlations in the two-dimensional Hubbard model [Electronic resource]
Место публикации : ArXiv. - 2020. - Ст.2001.05143
Вид и объем ресурса: Electronic text data
Примечания : Cited References: 86. - The reported study was funded by RFBR according to the research project No. 18-32-00256 (all the results concerning the influence of short-range correlations on the electronic spectral properties). The reported study was also funded by Russian Foundation for Basic Research and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects “Electronic correlation effects and multiorbital physics in iron-based materials and cuprates” number 19-42-240007, and “Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” number 18-42-240017
Предметные рубрики: Strongly Correlated Electrons
Аннотация: Cluster perturbation theory is applied to the two-dimensional Hubbard t−t′−t′′−U model to obtain doping and temperature dependent electronic spectral function with 4×4 and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I like electronic dispersion becomes more pronounced, the Fermi arc turns into large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gel'mukhanov F., Odelius M., Polyutov S. P., Fohlisch A., Kimberg V.
Заглавие : Dynamics of resonant x-ray and Auger scattering
Место публикации : Rev. Mod. Phys. - 2021. - Vol. 93, Is. 3. - Ст.035001. - ISSN 00346861 (ISSN), DOI 10.1103/RevModPhys.93.035001
Примечания : Cited References: 467. - The reported study was funded by the Russian Foundation for Basic Research (RFBR) (Project No. 19-29-12015) and partly supported by the Ministry of Science and Higher Education of the Russian Federation (Project No. FSRZ-2020-0008). M. O. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under Marie Skłodowska-Curie Grant Agreement No. 860553, the Carl Tryggers Foundation (Contract No. CTS18:285), and the Swedish Energy Agency (Contract No. 2017-006797). Funding is acknowledged from the European Research Council through ERC-ADG-2014 (Advanced Investigator Grant No. 669531 EDAX) at the University of Potsdam within the Horizon 2020 EU Framework Programme for Research and Innovation. Support from the Helmholtz Association, in particular, the Helmholtz Virtual Institute 419 “Dynamic Pathways in Multidimensional Landscapes” and the Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, is acknowledged. Support from the Swedish Research Council (Grants No. 2019-03470 and No. 2015-03781) is also acknowledged
Аннотация: An overview of both experimental and theoretical results in the field of resonant scattering of tunable soft and hard x-ray radiation is presented, with a main focus on the closely related processes of resonant inelastic x-ray scattering (RIXS) and resonant Auger scattering (RAS). The review starts with an overview of fundamental dynamical aspects of RIXS illustrated for different systems. A detailed analysis of case studies with increasing complexity, considering both gas-phase and condensed matter (liquids and solids) applications, is given. In the review, the most important achievements in investigations of coupled electron-nuclear dynamics and structural aspects in studies of liquids and solids over the last two decades are outlined. To give a perspective on the insights from RIXS and RAS, the x-ray results are discussed against the background of complementary experimental techniques like vibrational infrared absorption and Raman spectroscopy, as well as small-angle x-ray and neutron scattering. Finally, recent achievements in time-resolved studies based on x-ray free-electron lasers are described.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sidorov K. A., Gavrichkov V. A., Nikolaev S. V., Pchelkina Z. V., Ovchinnikov S. G.
Заглавие : Effect of external pressure on the normal and superconducting properties of high-Tc cuprates
Место публикации : Phys. Status Solidi B. - 2016. - Vol. 253, Is. 3. - P.486-493. - ISSN 0370-1972, DOI 10.1002/pssb.201552465
Примечания : Cited References: 50. - We are thankful to Dr. M.M. Korshunov for useful discussions. This work was supported by RFBR Grants 13-02-01395, 14-02-00186, grant of Russian President NSh-2886.2014.2, and the Ministry of Education and Science of Russia (SibFU Government Contract for 2014-2016, No. 3085).
Предметные рубрики: HYDROSTATIC-PRESSURE
ELECTRONIC-STRUCTURE
EXCHANGE INTERACTION
HEISENBERG-MODEL
COPPER OXIDES
FERMI-SURFACE
SPIN-WAVE
Ключевые слова (''Своб.индексиров.''): cuprates--electronic structure--fermi surface--lifshitz transitions--strongly correlated electrons--superconducting properties
Аннотация: The pressure effects on the normal state electronic structure, the superexchange interaction, and the critical temperature of d-type superconductivity mediated by magnetic pairing have been studied within the multielectron hybrid scheme LDA+GTB that takes into account electron correlations in CuO2 planes. We have found the changes of the multiband p–d model parameters at 3% compression of different symmetry: (i) hydrostatic, (ii) along the c-axis, and (iii) in a–b plane. We have studied the changes of the Fermi surface under external pressure for different hole doping concentration x. In general, this effect is too small except two critical concentrations xc1≈0.15 and xc2=0.24 where the Lifshitz transitions occur with the change of the Fermi surface topology. In the vicinity of the critical concentration, we have found the giant change of the Fermi surface area up to 100% related to the pressure-induced Lifshitz transition. The effects of pressure on the antiferromagnetic coupling J and the mean-field value of Tc are obtained in a good agreement to experimental data.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Malakhovskii A. V., Gnatchenko S. L., Kachur I. S., Piryatinskaya V. G., Sukhachev A. L., Temerov V. L.
Заглавие : Electron transitions and local properties of Nd3+ ion in Nd0.5Gd0.5Fe3(BO3)4 single crystal [Electronic resource]
Место публикации : ArXiv. - 2015. - Ст.arXiv:1507.04210
Примечания : Cited References: 45. - The work was supported by the President of Russia grant No Nsh-2886.2014.2
Предметные рубрики: Condensed matter-- Strongly correlated electrons
Condensed matter-- Materials science
Ключевые слова (''Своб.индексиров.''): f-f transitions--nd3+ ion--excited states--local magnetic properties
Аннотация: Polarized absorption spectra and magnetic circular dichroism (MCD) spectra of Nd0.5Gd0.5Fe3(BO3)4 single crystal were measured in the range of 10000 - 21000 cm-1. The absorption spectra were studied as a function of temperature in the range of 2 - 293 K and as a function of magnetic field 0 - 65 kOe at 2 K. The excited 4f states of the Nd3+ ion were identified in terms of the irreducible representations and in terms of |J,+-MJ wave functions of the free atom. The changes of the Lande factor during f-f transitions and the exchange splitting of the ground and excited states were determined. It was found out that the selection rules for electron transitions substantially changed in the magnetically ordered state of the crystal. They are different for the different transitions and they strongly depend on the orientation of the Fe sublattice magnetic moment relative to the light polarization. It was revealed that the local magnetic properties in the vicinity of the excited Nd3+ ion substantially depended on its state. In particular, in some excited states a weak ferromagnetic moment appears, the field induced reorientation magnetic transitions occur and the changes of the local magnetic anisotropy type take place. In some excited states the nonequivalent Nd3+ centers were found out.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Donkov A., Eremin I., Knolle J., Korshunov M. M.
Заглавие : Electron-Phonon Interaction and Phonon Renormalization in the Lamellar Cobaltate NaxCoO2
Разночтения заглавия :авие SCOPUS: Electron-phonon interaction and phonon renormalization in the lamellar cobaltate Na x CoO 2
Место публикации : J. Supercond. Nov. Magn.: SPRINGER, 2009. - Vol. 22: International Conference on Quantum Phenomena in Complex Matters (JUL 26-AUG 01, 2008, Erice, ITALY), Is. 1. - P37-40. - ISSN 1557-1939, DOI 10.1007/s10948-008-0372-6
Примечания : Cited References: 16
Предметные рубрики: SUPERCONDUCTIVITY
Ключевые слова (''Своб.индексиров.''): electron-phonon interaction--superconductivity--sodium cobaltate--electron-phonon interaction--sodium cobaltate--superconductivity--brillouin zones--cobaltate--conducting electrons--conduction electrons--doping dependences--feedback effects--matrix elements--phonon frequencies--phonon modes--raman experiments--renormalization--sodium cobaltate--sodium cobaltates--atoms--cobalt compounds--critical current density (superconductivity)--electric conductivity--electron-phonon interactions--electrons--flow interactions--penetration depth (superconductivity)--sodium--superconductivity--phonons
Аннотация: We study theoretically the electron-phonon interaction in NaxCoO2. For the A(1g) and E-1g phonon modes found in Raman experiments, we calculate the matrix elements of the electron-phonon interaction. Analyzing the feedback effect of the conduction electrons on the phonon frequency., we investigate the doping dependence of these two phonon modes. Due to the momentum dependence of the electron-phonon interaction, we find the strongest renormalization of the E-1g mode around the Brillouin zone boundary which should be observed in the neutron scattering. At the same time, the A(1g) mode shows the strongest coupling to the conducting electrons around the G point and reveals its doping dependence in the Raman experiments. Our results shed light on the possible importance of the electron-phonon interaction in the lamellar sodium cobaltates.
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16.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Parshin A. S., Igumenov A. Y., Mikhlin Y. L., Pchelyakov O. P., Zhigalov V. S.
Заглавие : Fine structure of inelastic electron scattering cross-section spectra for MN
Коллективы : International Scientific Conference Reshetnev Readings
Место публикации : IOP Conf. Ser.: Mater. Sci. Eng. - 2016. - Vol. 122, Is. 1. - , DOI 10.1088/1757-899X/122/1/012025
Ключевые слова (''Своб.индексиров.''): atomic physics--dissociation--electron energy levels--electron scattering--electrons--energy dissipation--manganese--comparative analysis--electron energy loss spectrum--experimental spectra--fine structures--inelastic electron scattering cross sections--electron energy loss spectroscopy
Аннотация: The comparative analysis of the reflection electron energy loss spectra and the inelastic electron scattering cross-section spectra for Mn was carried out. It is shown that inelastic electron scattering cross-section spectra have certain advantages in the study of the interaction of electrons with the substance as compared to the electron energy loss spectra. The inelastic electron scattering cross section spectra fine structure was analysed by fitting the experimental spectra using the 3 parameters Lorentzian-type formula of Tougaard. This method was used for the quantitative analysis of the contributions of various loss processes in the inelastic electron scattering cross section spectra, determination of the loss peaks energies and origin. © Published under licence by IOP Publishing Ltd.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Polukeev S. I., Ovchinnikov S. G.
Заглавие : Cation spin and superexchange interaction in oxide materials below and above spin crossover under high pressure [Electronic resource]
Место публикации : ArXiv. - 2019. - Ст.1911.06482
Вид и объем ресурса: Electronic text data
Примечания : Cited References: 63. - We acknowledge the support of the Russian Science Foundation through Grant 18-12-00022.
Предметные рубрики: Materials Science
Strongly Correlated Electrons
Аннотация: We derived simple rules for the sign of superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high pressure. The superexchange interaction between two cations in dn configurations is given by a sum of individual contributions related to the electron-hole virtual excitations to the different states of the dn+1 and dn−1 configurations. Using these rules, we have analyzed the sign of the superexchange interaction of a number of oxides with magnetic cations in electron configurations from d2 till d8: the iron, cobalt, chromium, nickel, copper and manganese oxides with increasing pressure. The most interesting result concerns the magnetic state of cobalt and nickel oxides CoO, Ni2O3 and also La2CoO4, LaNiO3 isostructural to well-known high-TC and colossal magnetoresistance materials. These oxides have a spin 12 at the high pressure. Change of the interaction from antiferromagnetic below spin crossover to ferromagnetic above spin crossover is predicted for oxide materials with cations in d5(FeBO3) and d7(CoO) configurations, while for materials with the other dn configurations spin crossover under high pressure does not change the sign of the superexchange interaction.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ovchinnikov S. G., Ul'm G. V.
Заглавие : Effect of pressure on the electronic structure of cuprates with strongly correlated electrons
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 4. - P608-612. - ISSN 1063-7834, DOI 10.1134/S1063783407040026
Примечания : Cited References: 11. - This work was supported by the Russian Foundation for Basic Research (project no. 06-02-16100), the Presidium of the Russian Academy of Sciences (program “Quantum Macrophysics”), and the Siberian Division of the Russian Academy of Sciences (complex integration project no. 3.4)
Предметные рубрики: COPPER OXIDES
Аннотация: For cuprates of the n and p types, the effect of pressure on the electronic structure of a CuO2 layer is studied. In the calculations performed, a generalized tight-binding method is used taking into account the influence of strong electronic correlations on the electronic structure of cuprates. The results obtained demonstrate the unusual effect of pressure on the nature of quasiparticle states at the top of the valence band in p-type cuprates. As the pressure increases, the hole states in these materials cease to be Zhang-Rice singlets and become combined singlet-triplet states.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Kuz'min E. V., Ovchinnikov S. G.
Заглавие : Electronic structure and order parameter symmetry in high-temperature superconductors
Место публикации : Uspekhi Fiz. Nauk: MEZHDUNARODNAYA KNIGA, 2000. - Vol. 170, Is. 2. - P.189-192. - ISSN 0042-1294
Примечания : Cited References: 31
Предметные рубрики: CORRELATED ELECTRONS
HUBBARD-MODEL
OXIDES
LA2-XSRXCUO4
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ovchinnikov S. G., Yakimov L. E.
Заглавие : The role of orbital ordering in the formation of electron structure in undoped LaMnO3 manganites in the regime of strong electron correlations
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 102, Is. 6. - P972-985. - ISSN 1063-7761, DOI 10.1134/S1063776106060112
Примечания : Cited References: 25
Предметные рубрики: COLOSSAL MAGNETORESISTIVE OXIDES
DOUBLE EXCHANGE
BAND
MODEL
Ключевые слова (''Своб.индексиров.''): computational methods--correlation methods--doping (additives)--electrons--ferromagnetic materials--lanthanum compounds--paramagnetic materials--intraatomic electron correlations--mott hubbard correlation gap--orbital ordering--paramagnetic phases--electronic structure
Аннотация: The electron structure of undoped LaMnO3 and slightly doped La1-xSrxMnO3 manganites has been calculated within the framework of a generalized tight binding method with explicit allowance for strong intra-atomic electron correlations. According to the results of these calculations, the ground state in orbitally disordered undoped LaMnO3 ferromagnets would be metallic despite the Mott-Hubbard correlation gap in the spectrum of quasiparticles. Owing to the orbital ordering, the insulating state is stabilized in both antiferromagnetic and paramagnetic phases. In-gap states of a polaron nature with a spectral weight proportional to the dopant concentration have been found near the top of the valence band in La1-xSrxMnO3. As the doping level increases, a metal state appears in the ferromagnetic phase, which has a metallic character for one spin subband and an insulating character for the other subband (representing the so-called half-metallic state).
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