Intertwined charge, spin, and pairing orders in doped iron ladders

Pandey, Bradraj; Soni, Rahul; Lin, Ling-Fang; Alvarez, Gonzalo; Dagotto, Elbio

doi:10.1103/physrevb.103.214513

Title: Intertwined charge, spin, and pairing orders in doped iron ladders

Journal Article · Tue Jun 15 00:00:00 EDT 2021 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.103.214513· OSTI ID:1807213

^[1];

^[2];

^[3]; Dagotto, Elbio ^[1]

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

Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe2S3. The model is constructed by using ab initio hopping parameters and the ground state properties are investigated using the density matrix renormalization group method. We show that the (π,0) magnetic ordering at half filling, with ferromagnetic rungs and antiferromagnetic legs, becomes incommensurate upon hole doping. Moreover, depending on the strength of the Hubbard U coupling, other magnetic patterns, such as (0,π), are also stabilized. We found that the binding energy for two holes becomes negative for intermediate Hubbard interaction strength, indicating hole pairing. Due to the crystal-field split among orbitals, the holes primarily reside in one orbital, with the other one remaining half filled. This resembles orbital selective Mott states. The formation of tight hole pairs continues with increasing hole density, as long as the magnetic order remains antiferromagnetic in one direction. The study of pair-pair correlations indicates the dominance of the intraorbital spin-singlet channel, as opposed to other pairing channels. Although in a range of hole doping pairing correlations decay slowly, our results can also be interpreted as corresponding to a charge density wave made of pairs, a precursor of eventual superconductivity after interladder couplings are included. Such a scenario of intertwined orders has been extensively discussed before in the cuprates, and our results suggest a similar physics could exist in ladder iron-based superconductors. Finally, we also show that a robust Hund's coupling is needed for pairing to occur.

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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:: 1807213

Journal Information:: Physical Review B, Vol. 103, Issue 21; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (70)

Unveiling New Magnetic Phases of Undoped and Doped Manganites Hotta, Takashi; Moraghebi, Mohammad; Feiguin, Adrian Physical Review Letters, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevLett.90.247203	journal	June 2003
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Block antiferromagnetism and checkerboard charge ordering in the alkali-doped iron selenides $R$ $_{1 - x}$ Fe $_{2 - y}$ Se $_{2}$ Li, Wei; Dong, Shuai; Fang, Chen Physical Review B, Vol. 85, Issue 10 https://doi.org/10.1103/PhysRevB.85.100407	journal	March 2012
Hole and pair structures in the t-J model White, Steven R.; Scalapino, D. J. Physical Review B, Vol. 55, Issue 10 https://doi.org/10.1103/PhysRevB.55.6504	journal	March 1997
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
Block Magnetic Excitations in the Orbitally Selective Mott Insulator ${BaFe}_{2} {Se}_{3}$ Mourigal, M.; Wu, Shan; Stone, M. B. Physical Review Letters, Vol. 115, Issue 4 https://doi.org/10.1103/PhysRevLett.115.047401	journal	July 2015
Magnetic Precursor of the Pressure-Induced Superconductivity in Fe-Ladder Compounds Chi, Songxue; Uwatoko, Yoshiya; Cao, Huibo Physical Review Letters, Vol. 117, Issue 4 https://doi.org/10.1103/PhysRevLett.117.047003	journal	July 2016
Pressure-induced superconductivity in the iron-based ladder material BaFe2S3 Takahashi, Hiroki; Sugimoto, Akira; Nambu, Yusuke Nature Materials, Vol. 14, Issue 10 https://doi.org/10.1038/nmat4351	journal	July 2015
Spin-gap proximity effect mechanism of high-temperature superconductivity Emery, V. J.; Kivelson, S. A.; Zachar, O. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRevB.56.6120	journal	September 1997
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Evidence for Strong Itinerant Spin Fluctuations in the Normal State of ${CeFeAsO}_{0.89} F_{0.11}$ Iron-Oxypnictide Superconductors Bondino, F.; Magnano, E.; Malvestuto, M. Physical Review Letters, Vol. 101, Issue 26 https://doi.org/10.1103/PhysRevLett.101.267001	journal	December 2008
Superconductivity in a model of two Hubbard chains coupled with ferromagnetic exchange interaction Shirakawa, T.; Nishimoto, S.; Ohta, Y. Physical Review B, Vol. 77, Issue 22 https://doi.org/10.1103/PhysRevB.77.224510	journal	June 2008
Iron-Based Layered Superconductor La[O _1- _x F _x ]FeAs ( x = 0.05−0.12) with T _c = 26 K Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro Journal of the American Chemical Society, Vol. 130, Issue 11 https://doi.org/10.1021/ja800073m	journal	March 2008
Magnetic states of the two-leg-ladder alkali metal iron selenides $A$ Fe $_{2}$ Se $_{3}$ Luo, Qinlong; Nicholson, Andrew; Rincón, Julián Physical Review B, Vol. 87, Issue 2 https://doi.org/10.1103/PhysRevB.87.024404	journal	January 2013
Unconventional Pairing Originating from the Disconnected Fermi Surfaces of Superconducting ${LaFeAsO}_{1 - x} F_{x}$ Kuroki, Kazuhiko; Onari, Seiichiro; Arita, Ryotaro Physical Review Letters, Vol. 101, Issue 8 https://doi.org/10.1103/PhysRevLett.101.087004	journal	August 2008
Maximally localized generalized Wannier functions for composite energy bands Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 56, Issue 20 https://doi.org/10.1103/PhysRevB.56.12847	journal	November 1997
The density matrix renormalization group for strongly correlated electron systems: A generic implementation Alvarez, G. Computer Physics Communications, Vol. 180, Issue 9 https://doi.org/10.1016/j.cpc.2009.02.016	journal	September 2009
Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders Patel, N. D.; Nocera, A.; Alvarez, G. Communications Physics, Vol. 2, Issue 1 https://doi.org/10.1038/s42005-019-0155-3	journal	June 2019
The electronic phase diagram of the LaO1−xFxFeAs superconductor Luetkens, H.; Klauss, H. -H.; Kraken, M. Nature Materials, Vol. 8, Issue 4 https://doi.org/10.1038/nmat2397	journal	February 2009
Block magnetism coupled with local distortion in the iron-based spin-ladder compound BaFe $_{2}$ Se $_{3}$ Nambu, Yusuke; Ohgushi, Kenya; Suzuki, Shunpei Physical Review B, Vol. 85, Issue 6 https://doi.org/10.1103/PhysRevB.85.064413	journal	February 2012
Superconductivity in the iron selenide $K_{x} {Fe}_{2} {Se}_{2}$ $(0 \leq x \leq 1.0)$ Guo, Jiangang; Jin, Shifeng; Wang, Gang Physical Review B, Vol. 82, Issue 18 https://doi.org/10.1103/PhysRevB.82.180520	journal	November 2010
Surprises on the Way from One- to Two-Dimensional Quantum Magnets: The Ladder Materials Dagotto, E.; Rice, T. M. Science, Vol. 271, Issue 5249 https://doi.org/10.1126/science.271.5249.618	journal	February 1996
Density matrix formulation for quantum renormalization groups White, Steven R. Physical Review Letters, Vol. 69, Issue 19 https://doi.org/10.1103/PhysRevLett.69.2863	journal	November 1992
Doped Stripes in Models for the Cuprates Emerging from the One-Hole Properties of the Insulator Martins, G. B.; Gazza, C.; Xavier, J. C. Physical Review Letters, Vol. 84, Issue 25 https://doi.org/10.1103/PhysRevLett.84.5844	journal	June 2000
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. Nature Physics, Vol. 6, Issue 9 https://doi.org/10.1038/nphys1759	journal	August 2010
Spin dynamics of the block orbital-selective Mott phase Herbrych, J.; Kaushal, N.; Nocera, A. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06181-6	journal	September 2018
Superconductivity in iron compounds Stewart, G. R. Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1589	journal	December 2011
Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe $_{2}$ Se $_{3}$ Caron, J. M.; Neilson, J. R.; Miller, D. C. Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.180409	journal	November 2011
Superconductivity Tuned by the Iron Vacancy Order in K _x Fe _{2− y} Se ₂ Bao, Wei; Li, Guan-Nan; Huang, Qing-Zhen Chinese Physics Letters, Vol. 30, Issue 2 https://doi.org/10.1088/0256-307X/30/2/027402	journal	February 2013
Superconductivity at 41 K and Its Competition with Spin-Density-Wave Instability in Layered ${CeO}_{1 - x} F_{x} FeAs$ Chen, G. F.; Li, Z.; Wu, D. Physical Review Letters, Vol. 100, Issue 24 https://doi.org/10.1103/PhysRevLett.100.247002	journal	June 2008
Constructing quasiparticle operators in strongly correlated systems Dagotto, E.; Schrieffer, J. R. Physical Review B, Vol. 43, Issue 10 https://doi.org/10.1103/PhysRevB.43.8705	journal	April 1991
Signatures of pairing in the magnetic excitation spectrum of strongly correlated two-leg ladders Nocera, A.; Patel, N. D.; Dagotto, E. Physical Review B, Vol. 96, Issue 20 https://doi.org/10.1103/PhysRevB.96.205120	journal	November 2017
Gap symmetry and structure of Fe-based superconductors Hirschfeld, P. J.; Korshunov, M. M.; Mazin, I. I. Reports on Progress in Physics, Vol. 74, Issue 12 https://doi.org/10.1088/0034-4885/74/12/124508	journal	October 2011
Superconductivity at 43 K in an iron-based layered compound LaO1-xFxFeAs Takahashi, Hiroki; Igawa, Kazumi; Arii, Kazunobu Nature, Vol. 453, Issue 7193 https://doi.org/10.1038/nature06972	journal	April 2008
Density Matrix Renormalization Group Study of the Striped Phase in the 2D $t - J$ Model White, Steven R.; Scalapino, D. J. Physical Review Letters, Vol. 80, Issue 6 https://doi.org/10.1103/PhysRevLett.80.1272	journal	February 1998
Superconductivity close to magnetic instability in $Fe {({Se}_{1 - x} {Te}_{x})}_{0.82}$ Fang, M. H.; Pham, H. M.; Qian, B. Physical Review B, Vol. 78, Issue 22 https://doi.org/10.1103/PhysRevB.78.224503	journal	December 2008
Colloquium : The unexpected properties of alkali metal iron selenide superconductors Dagotto, Elbio Reviews of Modern Physics, Vol. 85, Issue 2 https://doi.org/10.1103/RevModPhys.85.849	journal	May 2013
Incommensurate Spin Fluctuations in Hole-Overdoped Superconductor ${KFe}_{2} {As}_{2}$ Lee, C. H.; Kihou, K.; Kawano-Furukawa, H. Physical Review Letters, Vol. 106, Issue 6 https://doi.org/10.1103/PhysRevLett.106.067003	journal	February 2011
Exotic Magnetic Order in the Orbital-Selective Mott Regime of Multiorbital Systems Rincón, Julián; Moreo, Adriana; Alvarez, Gonzalo Physical Review Letters, Vol. 112, Issue 10 https://doi.org/10.1103/PhysRevLett.112.106405	journal	March 2014
Mechanism of high-temperature superconductivity in a striped Hubbard model Arrigoni, E.; Fradkin, E.; Kivelson, S. A. Physical Review B, Vol. 69, Issue 21 https://doi.org/10.1103/PhysRevB.69.214519	journal	June 2004
Superconductivity in ladders and coupled planes Dagotto, E.; Riera, J.; Scalapino, D. Physical Review B, Vol. 45, Issue 10 https://doi.org/10.1103/PhysRevB.45.5744	journal	March 1992
Superconductivity gets an iron boost Mazin, Igor I. Nature, Vol. 464, Issue 7286 https://doi.org/10.1038/nature08914	journal	March 2010
Colloquium : Theory of intertwined orders in high temperature superconductors Fradkin, Eduardo; Kivelson, Steven A.; Tranquada, John M. Reviews of Modern Physics, Vol. 87, Issue 2 https://doi.org/10.1103/RevModPhys.87.457	journal	May 2015
Superconductivity in the PbO-type structure -FeSe Hsu, F. -C.; Luo, J. -Y.; Yeh, K. -W. Proceedings of the National Academy of Sciences, Vol. 105, Issue 38 https://doi.org/10.1073/pnas.0807325105	journal	September 2008
Superconductivity in the Ladder Material Sr _0.4 Ca _13.6 Cu ₂₄ O _41.84 Uehara, Masatomo; Nagata, Takashi; Akimitsu, Jun Journal of the Physical Society of Japan, Vol. 65, Issue 9 https://doi.org/10.1143/JPSJ.65.2764	journal	September 1996
Magnetic properties and pairing tendencies of the iron-based superconducting ladder ${BaFe}_{2} S_{3}$ : Combined ab initio and density matrix renormalization group study Patel, Niravkumar D.; Nocera, Alberto; Alvarez, Gonzalo Physical Review B, Vol. 94, Issue 7 https://doi.org/10.1103/PhysRevB.94.075119	journal	August 2016
Fe-based superconductivity with T _c =31 K bordering an antiferromagnetic insulator in (Tl,K) Fe _x Se ₂ Fang, Ming-Hu; Wang, Hang-Dong; Dong, Chi-Heng EPL (Europhysics Letters), Vol. 94, Issue 2 https://doi.org/10.1209/0295-5075/94/27009	journal	April 2011
Anisotropy in BaFe $_{2}$ Se $_{3}$ single crystals with double chains of FeSe tetrahedra Lei, Hechang; Ryu, Hyejin; Frenkel, Anatoly I. Physical Review B, Vol. 84, Issue 21 https://doi.org/10.1103/PhysRevB.84.214511	journal	December 2011
Novel Magnetic Block States in Low-Dimensional Iron-Based Superconductors Herbrych, J.; Heverhagen, J.; Patel, N. D. Physical Review Letters, Vol. 123, Issue 2 https://doi.org/10.1103/PhysRevLett.123.027203	journal	July 2019
Coexistence of pairing tendencies and ferromagnetism in a doped two-orbital Hubbard model on two-leg ladders Xavier, J. C.; Alvarez, G.; Moreo, A. Physical Review B, Vol. 81, Issue 8 https://doi.org/10.1103/PhysRevB.81.085106	journal	February 2010
Iron-Based Layered Superconductor: LaOFeP Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro Journal of the American Chemical Society, Vol. 128, Issue 31 https://doi.org/10.1021/ja063355c	journal	August 2006
Common Crystalline and Magnetic Structure of Superconducting $A_{2} {Fe}_{4} {Se}_{5}$ ( $A = K, Rb, Cs, Tl$ ) Single Crystals Measured Using Neutron Diffraction Ye, F.; Chi, S.; Bao, Wei Physical Review Letters, Vol. 107, Issue 13 https://doi.org/10.1103/PhysRevLett.107.137003	journal	September 2011
Spin glass and semiconducting behavior in one-dimensional BaFe $_{2 - δ}$ Se $_{3}$ ( $δ \approx 0.2)$ crystals Saparov, Bayrammurad; Calder, Stuart; Sipos, Balazs Physical Review B, Vol. 84, Issue 24 https://doi.org/10.1103/PhysRevB.84.245132	journal	December 2011
Prediction of exotic magnetic states in the alkali-metal quasi-one-dimensional iron selenide compound ${Na}_{2} {FeSe}_{2}$ Pandey, Bradraj; Lin, Ling-Fang; Soni, Rahul Physical Review B, Vol. 102, Issue 3 https://doi.org/10.1103/PhysRevB.102.035149	journal	July 2020
Correlated electrons in high-temperature superconductors Dagotto, Elbio Reviews of Modern Physics, Vol. 66, Issue 3 https://doi.org/10.1103/RevModPhys.66.763	journal	July 1994
A Novel Large Moment Antiferromagnetic Order in K _0.8 Fe _1.6 Se ₂ Superconductor Bao, Wei; Huang, Qing-Zhen; Chen, Gen-Fu Chinese Physics Letters, Vol. 28, Issue 8 https://doi.org/10.1088/0256-307X/28/8/086104	journal	August 2011
Indications of spin-charge separation at short distance and stripe formation in the extended t-J model on ladders and planes Martins, G. B.; Xavier, J. C.; Gazza, C. Physical Review B, Vol. 63, Issue 1 https://doi.org/10.1103/PhysRevB.63.014414	journal	December 2000
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
The Physics of Pair-Density Waves: Cuprate Superconductors and Beyond Agterberg, Daniel F.; Davis, J. C. Séamus; Edkins, Stephen D. Annual Review of Condensed Matter Physics, Vol. 11, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031119-050711	journal	March 2020
Optical Study of the ${Sr}_{14 - x} {Ca}_{x} {Cu}_{24} O_{41}$ System: Evidence for Hole-Doped ${Cu}_{2} O_{3}$ Ladders Osafune, T.; Motoyama, N.; Eisaki, H. Physical Review Letters, Vol. 78, Issue 10 https://doi.org/10.1103/PhysRevLett.78.1980	journal	March 1997
Pressure-Induced Mott Transition Followed by a 24-K Superconducting Phase in ${BaFe}_{2} S_{3}$ Yamauchi, Touru; Hirata, Yasuyuki; Ueda, Yutaka Physical Review Letters, Vol. 115, Issue 24 https://doi.org/10.1103/PhysRevLett.115.246402	journal	December 2015
Orbital-selective magnetism in the spin-ladder iron selenides Ba $_{1 - x}$ K $_{x}$ Fe $_{2}$ Se $_{3}$ Caron, J. M.; Neilson, J. R.; Miller, D. C. Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.180405	journal	May 2012
Electronic origin of high-temperature superconductivity in single-layer FeSe superconductor Liu, Defa; Zhang, Wenhao; Mou, Daixiang Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms1946	journal	January 2012
Emergence of superconductivity in doped multiorbital Hubbard chains Patel, Niravkumar D.; Kaushal, Nitin; Nocera, Alberto npj Quantum Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41535-020-0228-2	journal	May 2020
Magnetism and its microscopic origin in iron-based high-temperature superconductors Dai, Pengcheng; Hu, Jiangping; Dagotto, Elbio Nature Physics, Vol. 8, Issue 10 https://doi.org/10.1038/nphys2438	journal	October 2012
Iron telluride ladder compounds: Predicting the structural and magnetic properties of ${BaFe}_{2} {Te}_{3}$ Zhang, Yang; Lin, Ling-Fang; Moreo, Adriana Physical Review B, Vol. 101, Issue 14 https://doi.org/10.1103/PhysRevB.101.144417	journal	April 2020
Magnetic states of iron-based two-leg ladder tellurides Zhang, Yang; Lin, Ling-Fang; Moreo, Adriana Physical Review B, Vol. 100, Issue 18 https://doi.org/10.1103/PhysRevB.100.184419	journal	November 2019
Magnetoelastic coupling in the phase diagram of Ba $_{1 - x}$ K $_{x}$ Fe $_{2}$ As $_{2}$ as seen via neutron diffraction Avci, S.; Chmaissem, O.; Goremychkin, E. A. Physical Review B, Vol. 83, Issue 17 https://doi.org/10.1103/PhysRevB.83.172503	journal	May 2011
The puzzle of high temperature superconductivity in layered iron pnictides and chalcogenides Johnston, David C. Advances in Physics, Vol. 59, Issue 6 https://doi.org/10.1080/00018732.2010.513480	journal	October 2010
Block–spiral magnetism: An exotic type of frustrated order Herbrych, J.; Heverhagen, J.; Alvarez, G. Proceedings of the National Academy of Sciences, Vol. 117, Issue 28 https://doi.org/10.1073/pnas.2001141117	journal	June 2020

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