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Title: | Electronic correlations and competing orders in multiorbital dimers: A cluster DMFT study |
Authors: | Harland, M. Poteryaev, A. I. Streltsov, S. V. Lichtenstein, A. I. |
Issue Date: | 2019 |
Publisher: | American Physical Society |
Citation: | Electronic correlations and competing orders in multiorbital dimers: A cluster DMFT study / M. Harland, A. I. Poteryaev, S. V. Streltsov, et al. — DOI 10.1103/PhysRevB.99.045115 // Physical Review B. — 2019. — Vol. 99. — Iss. 4. — 045115. |
Abstract: | We investigate the violation of the first Hund's rule in 4d and 5d transition-metal oxides that form solids of dimers. Bonding states within these dimers reduce the magnetization of such materials. We parametrize the dimer formation with realistic hopping parameters and find not only regimes where the system behaves like a Fermi liquid or as a Peierls insulator, but also strongly correlated regions due to Hund's coupling and its competition with the dimer formation. The electronic structure is investigated using the cluster dynamical mean-field theory for a dimer in the two-plane Bethe lattice with two orbitals per site and 3/8 filling, which is three electrons per dimer. It reveals dimer-antiferromagnetic order of a high-spin (double-exchange) state and a low-spin (molecular-orbital) state. At the crossover region, we observe the suppression of long-range magnetic order, fluctuation enhancement, and renormalization of electron masses. At certain interaction strengths, the system becomes an incoherent antiferromagnetic metal with well-defined local moments. © 2019 American Physical Society. |
Keywords: | ANTIFERROMAGNETISM CHEMICAL BONDS ELECTRONIC STRUCTURE FERMI LIQUIDS LATTICE THEORY MEAN FIELD THEORY MOLECULAR ORBITALS TRANSITION METAL OXIDES TRANSITION METALS 5D TRANSITION METALS ANTIFERROMAGNETIC ORDERINGS ANTIFERROMAGNETICS DYNAMICAL MEAN-FIELD THEORY ELECTRONIC CORRELATION HOPPING PARAMETERS INTERACTION STRENGTH LONG RANGE MAGNETIC ORDER DIMERS |
URI: | http://elar.urfu.ru/handle/10995/101874 |
Access: | info:eu-repo/semantics/openAccess |
SCOPUS ID: | 85059881167 |
WOS ID: | 000455163900003 |
PURE ID: | 04a276f8-2001-4d44-995c-f7c6c3318cae 8866495 |
ISSN: | 24699950 |
DOI: | 10.1103/PhysRevB.99.045115 |
Appears in Collections: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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