Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders

Patel, N. D.; Nocera, A.; Alvarez, G.; Moreo, A.; Johnston, S.; Dagotto, E.

doi:10.1038/s42005-019-0155-3

Title: Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe₂Se₃ ladders

Journal Article · Fri Jun 21 00:00:00 EDT 2019 · Communications Physics

DOI:https://doi.org/10.1038/s42005-019-0155-3· OSTI ID:1542206

Patel, N. D. ^[1]; Nocera, A. ^[1]; Alvarez, G. ^[2]; Moreo, A. ^[1]; Johnston, S. ^[3]; Dagotto, E. ^[1]

Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science & Mathematics Division. Center for Nanophase Materials Sciences
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy. Joint Inst. for Advanced Materials

Resonant Inelastic X-Ray Scattering (RIXS) experiments on the iron-based ladder BaFe₂Se₃ unveiled an unexpected two-peak structure associated with local orbital (dd) excitations in a block-type antiferromagnetic phase. A mixed character between correlated band-like and localized excitations was also reported. Here, we use the density matrix renormalization group method to calculate the momentum-resolved charge- and orbital-dynamical response functions of a multi-orbital Hubbard chain. Remarkably, our results qualitatively resemble the BaFe₂Se₃ RIXS data, while also capturing the presence of long-range magnetic order as found in neutron scattering, only when the model is in an exotic orbital-selective Mott phase (OSMP). In the calculations, the experimentally observed zero-momentum transfer RIXS peaks correspond to excitations between itinerant and Mott insulating orbitals. We provide experimentally testable predictions for the momentum-resolved charge and orbital dynamical structures, which can provide further insight into the OSMP regime of BaFe₂Se₃.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; DMR-1404375

OSTI ID:: 1542206

Journal Information:: Communications Physics, Vol. 2; ISSN 2399-3650

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 29 works

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Title: Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe₂Se₃ ladders