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Title: Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe 2Se 3 ladders

Abstract

Resonant Inelastic X-Ray Scattering (RIXS) experiments on the iron-based ladder BaFe 2Se 3 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 BaFe 2Se 3 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 BaFe 2Se 3.

Authors:
 [1];  [1];  [2];  [1];  [3];  [1]
  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
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science & Mathematics Division. Center for Nanophase Materials Sciences
  3. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy. Joint Inst. for Advanced Materials
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); National Science Foundation (NSF)
OSTI Identifier:
1542206
Grant/Contract Number:  
AC05-00OR22725; DMR-1404375
Resource Type:
Accepted Manuscript
Journal Name:
Communications Physics
Additional Journal Information:
Journal Volume: 2; Journal ID: ISSN 2399-3650
Publisher:
Springer Nature
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Patel, N. D., Nocera, A., Alvarez, G., Moreo, A., Johnston, S., and Dagotto, E. Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders. United States: N. p., 2019. Web. doi:10.1038/s42005-019-0155-3.
Patel, N. D., Nocera, A., Alvarez, G., Moreo, A., Johnston, S., & Dagotto, E. Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders. United States. doi:10.1038/s42005-019-0155-3.
Patel, N. D., Nocera, A., Alvarez, G., Moreo, A., Johnston, S., and Dagotto, E. Fri . "Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders". United States. doi:10.1038/s42005-019-0155-3. https://www.osti.gov/servlets/purl/1542206.
@article{osti_1542206,
title = {Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders},
author = {Patel, N. D. and Nocera, A. and Alvarez, G. and Moreo, A. and Johnston, S. and Dagotto, E.},
abstractNote = {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.},
doi = {10.1038/s42005-019-0155-3},
journal = {Communications Physics},
number = ,
volume = 2,
place = {United States},
year = {2019},
month = {6}
}

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