Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101874
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://hdl.handle.net/10995/101874
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85059881167
PURE ID: 8866495
04a276f8-2001-4d44-995c-f7c6c3318cae
ISSN: 24699950
DOI: 10.1103/PhysRevB.99.045115
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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