Please use this identifier to cite or link to this item: http://elar.urfu.ru/handle/10995/117879
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dc.contributor.authorVollhardt, D.en
dc.contributor.authorAnisimov, V. I.en
dc.contributor.authorSkornyakov, S. L.en
dc.contributor.authorLeonov, I.en
dc.date.accessioned2022-10-19T05:20:09Z-
dc.date.available2022-10-19T05:20:09Z-
dc.date.issued2019-
dc.identifier.citationDynamical mean-field theory for correlated electron materials / D. Vollhardt, V. I. Anisimov, S. L. Skornyakov et al. // Materials Today: Proceedings. — 2019. — Vol. 14. — P. 176-180.en
dc.identifier.issn22147853-
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85072115524&doi=10.1016%2fj.matpr.2019.05.080&partnerID=40&md5=1b46c9e5c0fe3f9c13f0dea483ba068elink
dc.identifier.urihttp://elar.urfu.ru/handle/10995/117879-
dc.description.abstractA brief introduction into the LDA+DMFT approach for the investigation of correlated electron materials is presented. In this scheme ab initio techniques for the calculation of band structures, such as the local density approximation (LDA) or the generalized gradient approximation (GGA), are supplemented by electronic correlations and solved within dynamical mean-field theory (DMFT). In particular, we address a fundamental question: How does the Coulomb repulsion between electrons influence the lattice stability of solids? Results are presented for elemental Fe above the Curie temperature and the iron chalcogenide FeSe. They show that the structural properties of materials such as transition metals and their compounds can only be explained if correlations between the electrons are explicitly taken into account. © 2019 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipAAAA-A18-118020190098-5en
dc.description.sponsorshipV.I.A., S.L.S., and I.L. acknowledge the support within the state assignment of FASO of Russia (theme "Electron" AAAA-A18-118020190098-5). We are also grateful to the DeutscheForschungsgemeinschaft for funding through Transregio TRR 80.en
dc.description.sponsorshipV.I.A., S.L.S., and I.L. acknowledge the support within the state assignment of FASO of Russia (theme “Electron” АААА-А18-118020190098-5). We are also grateful to the DeutscheForschungsgemeinschaft for funding through Transregio TRR 80.en
dc.description.sponsorshipBolcatto P.G.Jagla E.A.Nieva G.L.Proetto C.R.Tobia D.Ventura C.I.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherElsevier Ltden
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceMaterials Today: Proceedingsen
dc.subjectCORRELATED ELECTRON MATERIALSen
dc.subjectDMFTen
dc.subjectDYNAMICAL MEAN-FIELD THEORYen
dc.subjectELECTRONIC CORRELATIONSen
dc.subjectLDA+DMFTen
dc.titleDynamical mean-field theory for correlated electron materialsen
dc.typeConference Paperen
dc.typeinfo:eu-repo/semantics/conferenceObjecten
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.conference.name23rd Latin American Symposium on Solid State Physics, SLAFES 2018en
dc.conference.date10 April 2018 through 13 April 2018-
dc.identifier.doi10.1016/j.matpr.2019.05.080-
dc.identifier.scopus85072115524-
local.contributor.employeeVollhardt, D., Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Augsburg, 86135, Germanyen
local.contributor.employeeAnisimov, V.I., Institute of Metal Physics, Sofia Kovalevskaya Street 18, Yekaterinburg GSP-170, 620219, Russian Federation, Ural Federal University, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeSkornyakov, S.L., Institute of Metal Physics, Sofia Kovalevskaya Street 18, Yekaterinburg GSP-170, 620219, Russian Federation, Ural Federal University, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeLeonov, I., Institute of Metal Physics, Sofia Kovalevskaya Street 18, Yekaterinburg GSP-170, 620219, Russian Federation, Materials Modeling and Development Laboratory, National University of Science and Technology 'Misis', Moscow, 119049, Russian Federationen
local.description.firstpage176-
local.description.lastpage180-
local.volume14-
local.contributor.departmentTheoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Augsburg, 86135, Germanyen
local.contributor.departmentInstitute of Metal Physics, Sofia Kovalevskaya Street 18, Yekaterinburg GSP-170, 620219, Russian Federationen
local.contributor.departmentUral Federal University, Yekaterinburg, 620002, Russian Federationen
local.contributor.departmentMaterials Modeling and Development Laboratory, National University of Science and Technology 'Misis', Moscow, 119049, Russian Federationen
local.identifier.eid2-s2.0-85072115524-
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