Magnetic properties and pairing tendencies of the iron-based superconducting ladder : Combined ab initio and density matrix renormalization group study
- The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- JST, ERATO, Sendai (Japan). Isobe Degeneration pi-Integration Project; RIKEN, Wako (Japan). Center for Emergent Matter Science
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.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC05-00OR22725
- OSTI ID:
- 1328356
- Alternate ID(s):
- OSTI ID: 1288987
- Journal Information:
- Physical Review B, Vol. 94, Issue 7; ISSN 2469-9950
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders
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journal | June 2019 |
Crystal structure determination under high pressure in the iron-based ladder superconductor BaFe 2 S 3
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journal | August 2018 |
Pairing tendencies in a two-orbital Hubbard model in one dimension
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journal | July 2017 |
Non-local correlations in the orbital selective Mott phase of a one dimensional multi-orbital Hubbard model | text | January 2016 |
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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