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Поле DC | Значение | Язык |
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dc.contributor.author | Feygenson, M. | en |
dc.contributor.author | Novoselov, D. | en |
dc.contributor.author | Pascarelli, S. | en |
dc.contributor.author | Chernikov, R. | en |
dc.contributor.author | Zaharko, O. | en |
dc.contributor.author | Porcher, F. | en |
dc.contributor.author | Karpinsky, D. | en |
dc.contributor.author | Nikitin, A. | en |
dc.contributor.author | Prabhakaran, D. | en |
dc.contributor.author | Sazonov, A. | en |
dc.contributor.author | Sikolenko, V. | en |
dc.date.accessioned | 2020-09-29T09:45:40Z | - |
dc.date.available | 2020-09-29T09:45:40Z | - |
dc.date.issued | 2019 | - |
dc.identifier.citation | Manifold of spin states and dynamical temperature effects in LaCoO3: Experimental and theoretical insights / M. Feygenson, D. Novoselov, S. Pascarelli, R. Chernikov, et al. . — DOI 10.1103/PhysRevB.100.054306 // Physical Review B. — 2019. — Vol. 5. — Iss. 100. — 54306. | en |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.other | https://link.aps.org/accepted/10.1103/PhysRevB.100.054306 | |
dc.identifier.other | 1 | good_DOI |
dc.identifier.other | 6157b4f4-de06-4b66-b324-856d82026f7e | pure_uuid |
dc.identifier.other | http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85072575789 | m |
dc.identifier.uri | http://elar.urfu.ru/handle/10995/90018 | - |
dc.description.abstract | The unconventional transport and magnetic properties of perovskitelike lanthanum cobalt oxide LaCoO3 have been studied for more than five decades. This highly correlated electron system exhibits a variety of peculiar properties that are desirable for environmentally friendly energy solutions, fuel cell technologies, novel diesel engines, and oxyfuel power plants. However, the true spin state of the Co3+ ion is an important but still unresolved issue that underlies these applications. Although many theoretical models have been proposed, finding supporting experimental evidence of spin-state transitions is extremely difficult. Not until recently have new advanced scattering methods emerged allowing unprecedented precision in determining the crystal structure of LaCoO3. In this work, we combine high-resolution extended x-ray absorption fine structure, x-ray powder diffraction, and neutron powder and single-crystal diffraction over a broad range of temperatures, from 2 up to 1000 K, as well as quantum mechanical modeling to study the spin-state transition in LaCoO3 and in a reference sample of LaGaO3. Our results suggest that the Co ions are mainly in a low-spin state at temperatures below 150 K, with a minority of ions in a high-spin state. With an increase in the temperature the gradual transition from low- to intermediate-spin state occurs up until 550 K. At the metal-insulator transition at 550 K, the long-range domains of the intermediate-spin states become a dominant contribution. Above 550 K, a transition from intermediate- to high-spin state is observed. It is established that a slight change in the degree of pd hybridization can lead to the appearance of a spin-state transition which might be induced by both temperature and surface effects in powder crystallites. © 2019 American Physical Society. | en |
dc.description.sponsorship | U.S. Department of Energy, USDOE | en |
dc.description.sponsorship | Russian Foundation for Basic Research, RFBR: 17-302-50018-molnr | en |
dc.description.sponsorship | Office of Science, SC | en |
dc.description.sponsorship | The authors are indebted to V. Efimov for stimulating discussions, to D. Chernyshov (ESRF) for his help with diffraction experiments and data analysis, and to A. Kuzmin for software creation to calculate U ⊥ and U | | from the anisotropic ADP. The results of the theoretical part of the work including DFT + DMFT calculations were obtained within the state assignment of Minobrnauki of Russia (topic Electron No. AAAA-A18-118020190098-5). Calculations were performed using the Supercomputing Center of IMM UrB RAS. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen. The reported study was funded by the RFBR within research Project No. 17-302-50018-molnr. The EXAFS experiments were performed on beamline BM29 at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | en | en |
dc.publisher | American Physical Society | en |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.rights | publisher-specific, author manuscript: https://link.aps.org/licenses/aps-default-accepted-manuscript-license | other |
dc.source | Physical Review B | en |
dc.subject | COBALT COMPOUNDS | en |
dc.subject | CRYSTAL STRUCTURE | en |
dc.subject | DIFFRACTION | en |
dc.subject | EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY | en |
dc.subject | FUEL CELL POWER PLANTS | en |
dc.subject | FUEL CELLS | en |
dc.subject | GALLIUM COMPOUNDS | en |
dc.subject | IONS | en |
dc.subject | LANTHANUM COMPOUNDS | en |
dc.subject | METAL INSULATOR BOUNDARIES | en |
dc.subject | PEROVSKITE | en |
dc.subject | POWDER METALS | en |
dc.subject | QUANTUM THEORY | en |
dc.subject | SEMICONDUCTOR INSULATOR BOUNDARIES | en |
dc.subject | SINGLE CRYSTALS | en |
dc.subject | SPIN DYNAMICS | en |
dc.subject | X RAY ABSORPTION | en |
dc.subject | X RAY POWDER DIFFRACTION | en |
dc.subject | DOMINANT CONTRIBUTIONS | en |
dc.subject | EXTENDED X-RAY ABSORPTION FINE STRUCTURES | en |
dc.subject | FUEL CELL TECHNOLOGIES | en |
dc.subject | HIGHLY CORRELATED ELECTRONS | en |
dc.subject | LANTHANUM COBALT OXIDE | en |
dc.subject | QUANTUM MECHANICAL MODEL | en |
dc.subject | SINGLE-CRYSTAL DIFFRACTION | en |
dc.subject | TRANSPORT AND MAGNETIC PROPERTIES | en |
dc.subject | METAL INSULATOR TRANSITION | en |
dc.title | Manifold of spin states and dynamical temperature effects in LaCoO3: Experimental and theoretical insights | en |
dc.type | Article | en |
dc.type | info:eu-repo/semantics/article | en |
dc.type | info:eu-repo/semantics/acceptedVersion | en |
dc.identifier.doi | 10.1103/PhysRevB.100.054306 | - |
dc.identifier.scopus | 85072575789 | - |
local.affiliation | Forschungszentrum Jülich, JCNS-1, Jülich, D-52425, Germany | en |
local.affiliation | M. N. Mikheev Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620108, Russian Federation | en |
local.affiliation | Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation | en |
local.affiliation | European Synchrotron Radiation Facility, B.P. 220, Grenoble, 38043, France | en |
local.affiliation | Canadian Light Source, 44 Innovation Boulevard, Saskatoon, SK S7N 2V3, Canada | en |
local.affiliation | Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institute, Villigen PSI, CH-5232, Switzerland | en |
local.affiliation | CEA Saclay Laboratoire Lèon Brillouin, Gif Sur Yvette, F-91191, France | en |
local.affiliation | Scientific-Practical Materials Research Centre of NAS of Belarus, Minsk, 220072, Belarus | en |
local.affiliation | Clarendon Laboratory, Parks Road, Oxford, OX1 3PU, United Kingdom | en |
local.affiliation | European Spallation Source (ESS) ERIC, Data Management and Software Centre (DMSC), Copenhagen, 2200, Denmark | en |
local.affiliation | Joint Institute for Nuclear Research, Joliot-Curie 6, Dubna, 141980, Russian Federation | en |
local.contributor.employee | Feygenson, M., Forschungszentrum Jülich, JCNS-1, Jülich, D-52425, Germany | ru |
local.contributor.employee | Novoselov, D., M. N. Mikheev Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, 18 S. Kovalevskaya Street, Yekaterinburg, 620108, Russian Federation, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation | ru |
local.contributor.employee | Pascarelli, S., European Synchrotron Radiation Facility, B.P. 220, Grenoble, 38043, France | ru |
local.contributor.employee | Chernikov, R., Canadian Light Source, 44 Innovation Boulevard, Saskatoon, SK S7N 2V3, Canada | ru |
local.contributor.employee | Zaharko, O., Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institute, Villigen PSI, CH-5232, Switzerland | ru |
local.contributor.employee | Porcher, F., CEA Saclay Laboratoire Lèon Brillouin, Gif Sur Yvette, F-91191, France | ru |
local.contributor.employee | Karpinsky, D., Scientific-Practical Materials Research Centre of NAS of Belarus, Minsk, 220072, Belarus | ru |
local.contributor.employee | Nikitin, A., Scientific-Practical Materials Research Centre of NAS of Belarus, Minsk, 220072, Belarus | ru |
local.contributor.employee | Prabhakaran, D., Clarendon Laboratory, Parks Road, Oxford, OX1 3PU, United Kingdom | ru |
local.contributor.employee | Sazonov, A., European Spallation Source (ESS) ERIC, Data Management and Software Centre (DMSC), Copenhagen, 2200, Denmark | ru |
local.contributor.employee | Sikolenko, V., Joint Institute for Nuclear Research, Joliot-Curie 6, Dubna, 141980, Russian Federation | ru |
local.issue | 100 | - |
local.volume | 5 | - |
dc.identifier.wos | 000482940800003 | - |
local.identifier.pure | 10775003 | - |
local.description.order | 54306 | - |
local.identifier.eid | 2-s2.0-85072575789 | - |
local.fund.rffi | 17-302-50018 | - |
local.identifier.wos | WOS:000482940800003 | - |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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10.1103-PhysRevB.100.054306.pdf | 6,47 MB | Adobe PDF | Просмотреть/Открыть |
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