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Title: Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe 2 S 3 : Combined ab initio and density matrix renormalization group study

Abstract

The recent discovery of superconductivity under high pressure in the two-leg ladder compound BaFe2S3 [H. Takahashi et al., Nat. Mater. 14, 1008 (2015)] opens a broad avenue of research, because it represents the first report of pairing tendencies in a quasi-one-dimensional iron-based high-critical-temperature superconductor. Similarly, as in the case of the cuprates, ladders and chains can be far more accurately studied using many-body techniques and model Hamiltonians than their layered counterparts, particularly if several orbitals are active. In this publication, we derive a two-orbital Hubbard model from first principles that describes individual ladders of BaFe2S3. The model is studied with the density matrix renormalization group. These first reported results are exciting for two reasons: (i) at half-filling, ferromagnetic order emerges as the dominant magnetic pattern along the rungs of the ladder, and antiferromagnetic order along the legs, in excellent agreement with neutron experiments; and (ii) with hole doping, pairs form in the strong coupling regime, as found by studying the binding energy of two holes doped on the half-filled system. In addition, orbital selective Mott phase characteristics develop with doping, with only oneWannier orbital receiving the hole carriers while the other remains half-filled. Lastly, these results suggest that the analysismore » of models for iron-based two-leg ladders could clarify the origin of pairing tendencies and other exotic properties of iron-based high-critical-temperature superconductors in general.« less

Authors:
 [1];  [2];  [2];  [3];  [1];  [1]
+ Show Author Affiliations
  1. The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. JST, ERATO, Sendai (Japan). Isobe Degeneration pi-Integration Project; RIKEN, Wako (Japan). Center for Emergent Matter Science
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1328356
Alternate Identifier(s):
OSTI ID: 1288987
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 7; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Patel, Niravkumar D., Nocera, Alberto, Alvarez, Gonzalo, Arita, Ryotaro, Moreo, Adriana, and Dagotto, Elbio. Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe2S3: Combined ab initio and density matrix renormalization group study. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.075119.
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Patel, Niravkumar D., Nocera, Alberto, Alvarez, Gonzalo, Arita, Ryotaro, Moreo, Adriana, & Dagotto, Elbio. Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe2S3: Combined ab initio and density matrix renormalization group study. United States. https://doi.org/10.1103/PhysRevB.94.075119
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Patel, Niravkumar D., Nocera, Alberto, Alvarez, Gonzalo, Arita, Ryotaro, Moreo, Adriana, and Dagotto, Elbio. Wed . "Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe2S3: Combined ab initio and density matrix renormalization group study". United States. https://doi.org/10.1103/PhysRevB.94.075119. https://www.osti.gov/servlets/purl/1328356.
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@article{osti_1328356,
title = {Magnetic properties and pairing tendencies of the iron-based superconducting ladder BaFe2S3: Combined ab initio and density matrix renormalization group study},
author = {Patel, Niravkumar D. and Nocera, Alberto and Alvarez, Gonzalo and Arita, Ryotaro and Moreo, Adriana and Dagotto, Elbio},
abstractNote = {The recent discovery of superconductivity under high pressure in the two-leg ladder compound BaFe2S3 [H. Takahashi et al., Nat. Mater. 14, 1008 (2015)] opens a broad avenue of research, because it represents the first report of pairing tendencies in a quasi-one-dimensional iron-based high-critical-temperature superconductor. Similarly, as in the case of the cuprates, ladders and chains can be far more accurately studied using many-body techniques and model Hamiltonians than their layered counterparts, particularly if several orbitals are active. In this publication, we derive a two-orbital Hubbard model from first principles that describes individual ladders of BaFe2S3. The model is studied with the density matrix renormalization group. These first reported results are exciting for two reasons: (i) at half-filling, ferromagnetic order emerges as the dominant magnetic pattern along the rungs of the ladder, and antiferromagnetic order along the legs, in excellent agreement with neutron experiments; and (ii) with hole doping, pairs form in the strong coupling regime, as found by studying the binding energy of two holes doped on the half-filled system. In addition, orbital selective Mott phase characteristics develop with doping, with only oneWannier orbital receiving the hole carriers while the other remains half-filled. Lastly, these results suggest that the analysis of models for iron-based two-leg ladders could clarify the origin of pairing tendencies and other exotic properties of iron-based high-critical-temperature superconductors in general.},
doi = {10.1103/PhysRevB.94.075119},
journal = {Physical Review B},
number = 7,
volume = 94,
place = {United States},
year = {Wed Aug 10 00:00:00 EDT 2016},
month = {Wed Aug 10 00:00:00 EDT 2016}
}
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https://doi.org/10.1103/PhysRevB.94.075119
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    Works referencing / citing this record:

    Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders
    journal, June 2019

    Crystal structure determination under high pressure in the iron-based ladder superconductor BaFe 2 S 3
    journal, August 2018

    • Kobayashi, Kensuke; Maki, Sachiko; Murakami, Youichi
    • Superconductor Science and Technology, Vol. 31, Issue 10
    • DOI: 10.1088/1361-6668/aad790

    Pairing tendencies in a two-orbital Hubbard model in one dimension
    journal, July 2017

    Fingerprints of an Exotic Orbital-Selective Mott Phase in the Block Magnetic State of BaFe$_2$Se$_3$ Ladders
    text, January 2018

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