Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4

Zhou, Sen; Jiang, Kun; Chen, Hua; Wang, Ziqiang

doi:10.1103/PhysRevX.7.041018

Title: Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates ${Sr}_{2} {IrO}_{4}$

Abstract

Analogs of the high-T_c cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5d perovskite iridates Sr₂IrO₄ exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d-wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating J_eff = 1/2 spin current can be probed by advanced techniques of spin-current detection in spintronics. Here, this electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5d orbitals, turning the metallic state intomore »« less

Authors:: Zhou, Sen; Jiang, Kun; Chen, Hua; Wang, Ziqiang

Publication Date:: Tue Oct 24 00:00:00 EDT 2017

Research Org.:: Boston College, Chestnut Hill, MA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1402539

Alternate Identifier(s):: OSTI ID: 1499088

Grant/Contract Number:: FG02-99ER45747

Resource Type:: Published Article

Journal Name:: Physical Review. X

Additional Journal Information:: Journal Name: Physical Review. X Journal Volume: 7 Journal Issue: 4; Journal ID: ISSN 2160-3308

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Citation Formats


                    Zhou, Sen, Jiang, Kun, Chen, Hua, and Wang, Ziqiang. Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevX.7.041018.

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                    Zhou, Sen, Jiang, Kun, Chen, Hua, & Wang, Ziqiang. Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4.  United States.  https://doi.org/10.1103/PhysRevX.7.041018

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                    Zhou, Sen, Jiang, Kun, Chen, Hua, and Wang, Ziqiang. Tue .  
"Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4".  United States.  https://doi.org/10.1103/PhysRevX.7.041018.

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@article{osti_1402539,

  title        = {Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4},

  author       = {Zhou, Sen and Jiang, Kun and Chen, Hua and Wang, Ziqiang},

  abstractNote = {Analogs of the high-Tc cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5d perovskite iridates Sr2IrO4 exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d-wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating Jeff = 1/2 spin current can be probed by advanced techniques of spin-current detection in spintronics. Here, this electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5d orbitals, turning the metallic state into an electron-doped quasi-2D Dirac semimetal with important implications on the possible superconducting state suggested by recent experiments.},

  doi          = {10.1103/PhysRevX.7.041018},

  journal      = {Physical Review. X},

  number       = 4,

  volume       = 7,

  place        = {United States},

  year         = {Tue Oct 24 00:00:00 EDT 2017},

  month        = {Tue Oct 24 00:00:00 EDT 2017}

}

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FIG. 1. : Comparison of the band structures obtained using (a) LDA and (b) the five-orbital TBþ SOC model with lattice distortion caused by staggered octahedra rotation. The doubling of bands and the small band splitting in (a) is due to the doubling of unit cell along the c axis.more »

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Title: Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr 2 IrO 4

Abstract

Citation Formats

Figures / Tables:

Structural and magnetic studies of Sr 2 IrO 4 journal, April 1994

Microscopic electronic inhomogeneity in the high-Tc superconductor Bi2Sr2CaCu2O8+x journal, September 2001

Evidence of an odd-parity hidden order in a spin–orbit coupled correlated iridate journal, October 2015

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Fermi arcs, pseudogap, and collective excitations in doped Sr 2 IrO 4 : A generalized fluctuation exchange study journal, April 2015

Inhomogeneous d -wave superconducting state of a doped Mott insulator journal, January 2002

Anisotropic exchange interactions of spin-orbit-integrated states in Sr 2 IrO 4 journal, August 2009

Microscopic Study of a Spin-Orbit-Induced Mott Insulator in Ir Oxides journal, November 2010

Electron and hole doping in the relativistic Mott insulator Sr 2 IrO 4 : A first-principles study using band unfolding technique journal, November 2016

Structural Distortion-Induced Magnetoelastic Locking in Sr 2 IrO 4 Revealed through Nonlinear Optical Harmonic Generation journal, March 2015

Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr 2 IrO 4 journal, April 2014

Imaging the Impact of Single Oxygen Atoms on Superconducting Bi2+ySr2-yCaCu2O8+x journal, July 2012

Valence Bond Glass Theory of Electronic Disorder and the Pseudogap State of High-Temperature Cuprate Superconductors journal, March 2009

Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr 2 IrO 4 by magnetically constrained noncollinear DFT journal, August 2015

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4 journal, March 2009

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Reduced Effective Spin-Orbital Degeneracy and Spin-Orbital Ordering in Paramagnetic Transition-Metal Oxides: Sr 2 IrO 4 versus Sr 2 RhO 4 journal, December 2011

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Atomic-Scale Sources and Mechanism of Nanoscale Electronic Disorder in Bi2Sr2CaCu2O8+ journal, August 2005

Magnetic ground state of Sr 2 IrO 4 and implications for second-harmonic generation journal, August 2016

Neutron Powder Diffraction Study of the Crystal Structures of Sr2RuO4 and Sr2IrO4 at Room Temperature and at 10 K journal, October 1994

Persistent Paramagnons Deep in the Metallic Phase of Sr 2 − x La x IrO 4 journal, September 2016

Correlated vs. conventional insulating behavior in the J eff = 1 2 vs. 3 2 bands in the layered iridate Ba 2 IrO 4 journal, August 2014

Interplay of Spin-Orbit Interactions, Dimensionality, and Octahedral Rotations in Semimetallic SrIrO 3 journal, January 2015

Dimensionality Driven Spin-Flop Transition in Layered Iridates journal, July 2012

Odd-Parity Triplet Superconducting Phase in Multiorbital Materials with a Strong Spin-Orbit Coupling: Application to Doped Sr 2 IrO 4 journal, October 2014

Topological Mott Insulators journal, April 2008

Observation of a metal-to-insulator transition with both Mott-Hubbard and Slater characteristics in Sr 2 IrO 4 from time-resolved photocarrier dynamics journal, July 2012

Neutron scattering study of correlated phase behavior in Sr 2 IrO 4 journal, April 2013

Decoupling of the antiferromagnetic and insulating states in Tb-doped S r 2 Ir O 4 journal, December 2015

Novel J eff = 1 / 2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr 2 IrO 4 journal, August 2008

Compass impurity model of Tb substitution in Sr 2 IrO 4 journal, October 2016

Magnetic and crystal structures of Sr 2 IrO 4 : A neutron diffraction study journal, April 2013

Interatomic Coulomb interaction and electron nematic bond order in FeSe journal, March 2016

Z2 Topological Order and the Quantum Spin Hall Effect journal, September 2005

Weak ferromagnetism, metal-to-nonmetal transition, and negative differential resistivity in single-crystal Sr 2 IrO 4 journal, May 1998

Electron-doped Sr 2 IrO 4 − δ ( 0 ≤ δ ≤ 0.04 ) : Evolution of a disordered J eff = 1 2 Mott insulator into an exotic metallic state journal, September 2010

Dirac Semimetals in Two Dimensions journal, September 2015

Theory of metal-insulator transition in the family of perovskite iridium oxides journal, July 2013

Ab initio Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in Sr 2 IrO 4 and Ba 2 IrO 4 journal, February 2012

Two-Dimensional Heisenberg Behavior of J eff = 1 / 2 Isospins in the Paramagnetic State of the Spin-Orbital Mott Insulator Sr 2 IrO 4 journal, June 2012

Robustness of Basal-Plane Antiferromagnetic Order and the J eff = 1 / 2 State in Single-Layer Iridate Spin-Orbit Mott Insulators journal, March 2013

Electron-Doped Sr 2 IrO 4 : An Analogue of Hole-Doped Cuprate Superconductors Demonstrated by Scanning Tunneling Microscopy journal, November 2015

Twisted Hubbard Model for Sr 2 IrO 4 : Magnetism and Possible High Temperature Superconductivity journal, March 2011

Transfer of spectral weight across the gap of Sr 2 IrO 4 induced by La doping journal, August 2015

Tuning the Electronic Structure of Sr 2 IrO 4 Thin Films by Bulk Electronic Doping Using Molecular Beam Epitaxy journal, May 2015

Direct Detection of Pure ac Spin Current by X-Ray Pump-Probe Measurements journal, August 2016

Localized-to-itinerant electron transition in Sr 2 Ir 1 − x Ru x O 4 journal, May 1994

Time-reversal symmetry breaking hidden order in Sr2(Ir,Rh)O4 journal, April 2017

Correlating Off-Stoichiometric Doping and Nanoscale Electronic Inhomogeneity in the High- T c Superconductor Bi 2 Sr 2 CaCu 2 O 8 + δ journal, February 2007

Observation of second-harmonic generation induced by pure spin currents journal, August 2010

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models journal, January 2009

Stability of Nodal Quasiparticles in Superconductors with Coexisting Orders journal, January 2008

Anisotropic softening of magnetic excitations in lightly electron-doped Sr 2 IrO 4 journal, June 2016

Interplay of many-body and single-particle interactions in iridates and rhodates journal, January 2014

The electronic structure of the high-symmetry perovskite iridate Ba 2 IrO 4 journal, January 2014

Title: Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates ${Sr}_{2} {IrO}_{4}$

Structural and magnetic studies of ${Sr}_{2}$ ${IrO}_{4}$
journal, April 1994

Microscopic electronic inhomogeneity in the high-Tc superconductor Bi2Sr2CaCu2O8+x
journal, September 2001

Evidence of an odd-parity hidden order in a spin–orbit coupled correlated iridate
journal, October 2015

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Fermi arcs, pseudogap, and collective excitations in doped ${Sr}_{2} {IrO}_{4}$ : A generalized fluctuation exchange study
journal, April 2015

Inhomogeneous $d$ -wave superconducting state of a doped Mott insulator
journal, January 2002

Anisotropic exchange interactions of spin-orbit-integrated states in ${Sr}_{2} {IrO}_{4}$
journal, August 2009

Microscopic Study of a Spin-Orbit-Induced Mott Insulator in Ir Oxides
journal, November 2010

Electron and hole doping in the relativistic Mott insulator ${Sr}_{2} {IrO}_{4}$ : A first-principles study using band unfolding technique
journal, November 2016

Structural Distortion-Induced Magnetoelastic Locking in ${Sr}_{2} {IrO}_{4}$ Revealed through Nonlinear Optical Harmonic Generation
journal, March 2015

Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in ${Sr}_{2}$ ${IrO}_{4}$
journal, April 2014

Imaging the Impact of Single Oxygen Atoms on Superconducting Bi2+ySr2-yCaCu2O8+x
journal, July 2012

Valence Bond Glass Theory of Electronic Disorder and the Pseudogap State of High-Temperature Cuprate Superconductors
journal, March 2009

Anisotropic magnetic couplings and structure-driven canted to collinear transitions in ${Sr}_{2} {IrO}_{4}$ by magnetically constrained noncollinear DFT
journal, August 2015

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4
journal, March 2009

Collapse of the Mott Gap and Emergence of a Nodal Liquid in Lightly Doped ${Sr}_{2} {IrO}_{4}$
journal, October 2015

Reduced Effective Spin-Orbital Degeneracy and Spin-Orbital Ordering in Paramagnetic Transition-Metal Oxides: ${Sr}_{2} {IrO}_{4}$ versus ${Sr}_{2} {RhO}_{4}$
journal, December 2011

Fermi arcs in a doped pseudospin-1/2 Heisenberg antiferromagnet
journal, June 2014

Observation of a d-wave gap in electron-doped Sr2IrO4
journal, October 2015

Atomic-Scale Sources and Mechanism of Nanoscale Electronic Disorder in Bi2Sr2CaCu2O8+
journal, August 2005

Magnetic ground state of ${Sr}_{2} {IrO}_{4}$ and implications for second-harmonic generation
journal, August 2016

Neutron Powder Diffraction Study of the Crystal Structures of Sr2RuO4 and Sr2IrO4 at Room Temperature and at 10 K
journal, October 1994

Persistent Paramagnons Deep in the Metallic Phase of ${Sr}_{2 - x} {La}_{x} {IrO}_{4}$
journal, September 2016

Correlated vs. conventional insulating behavior in the $J_{eff} = \frac{1}{2}$ vs. $\frac{3}{2}$ bands in the layered iridate ${Ba}_{2} {IrO}_{4}$
journal, August 2014

Interplay of Spin-Orbit Interactions, Dimensionality, and Octahedral Rotations in Semimetallic ${SrIrO}_{3}$
journal, January 2015

Dimensionality Driven Spin-Flop Transition in Layered Iridates
journal, July 2012

Odd-Parity Triplet Superconducting Phase in Multiorbital Materials with a Strong Spin-Orbit Coupling: Application to Doped ${Sr}_{2} {IrO}_{4}$
journal, October 2014

Topological Mott Insulators
journal, April 2008

Observation of a metal-to-insulator transition with both Mott-Hubbard and Slater characteristics in Sr $_{2}$ IrO $_{4}$ from time-resolved photocarrier dynamics
journal, July 2012

Neutron scattering study of correlated phase behavior in Sr $_{2}$ IrO $_{4}$
journal, April 2013

Decoupling of the antiferromagnetic and insulating states in Tb-doped $S r_{2} Ir O_{4}$
journal, December 2015

Novel $J_{eff} = 1 / 2$ Mott State Induced by Relativistic Spin-Orbit Coupling in ${Sr}_{2} {IrO}_{4}$
journal, August 2008

Compass impurity model of Tb substitution in ${Sr}_{2} {IrO}_{4}$
journal, October 2016

Magnetic and crystal structures of ${Sr}_{2} {IrO}_{4}$ : A neutron diffraction study
journal, April 2013

Interatomic Coulomb interaction and electron nematic bond order in FeSe
journal, March 2016

$Z_{2}$ Topological Order and the Quantum Spin Hall Effect
journal, September 2005

Weak ferromagnetism, metal-to-nonmetal transition, and negative differential resistivity in single-crystal ${Sr}_{2} {IrO}_{4}$
journal, May 1998

Electron-doped ${Sr}_{2} {IrO}_{4 - δ}$ $(0 \leq δ \leq 0.04)$ : Evolution of a disordered $J_{eff} = \frac{1}{2}$ Mott insulator into an exotic metallic state
journal, September 2010

Dirac Semimetals in Two Dimensions
journal, September 2015

Theory of metal-insulator transition in the family of perovskite iridium oxides
journal, July 2013

Ab initio Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in ${Sr}_{2} {IrO}_{4}$ and ${Ba}_{2} {IrO}_{4}$
journal, February 2012

Two-Dimensional Heisenberg Behavior of $J_{eff} = 1 / 2$ Isospins in the Paramagnetic State of the Spin-Orbital Mott Insulator ${Sr}_{2} {IrO}_{4}$
journal, June 2012

Robustness of Basal-Plane Antiferromagnetic Order and the $J_{eff} = 1 / 2$ State in Single-Layer Iridate Spin-Orbit Mott Insulators
journal, March 2013

Electron-Doped ${Sr}_{2} {IrO}_{4}$ : An Analogue of Hole-Doped Cuprate Superconductors Demonstrated by Scanning Tunneling Microscopy
journal, November 2015

Twisted Hubbard Model for ${Sr}_{2} {IrO}_{4}$ : Magnetism and Possible High Temperature Superconductivity
journal, March 2011

Transfer of spectral weight across the gap of ${Sr}_{2} {IrO}_{4}$ induced by La doping
journal, August 2015

Tuning the Electronic Structure of Sr ₂ IrO ₄ Thin Films by Bulk Electronic Doping Using Molecular Beam Epitaxy
journal, May 2015

Direct Detection of Pure ac Spin Current by X-Ray Pump-Probe Measurements
journal, August 2016

Localized-to-itinerant electron transition in ${Sr}_{2}$ ${Ir}_{1 - x}$ ${Ru}_{x}$ $O_{4}$
journal, May 1994

Time-reversal symmetry breaking hidden order in Sr2(Ir,Rh)O4
journal, April 2017

Correlating Off-Stoichiometric Doping and Nanoscale Electronic Inhomogeneity in the High- $T_{c}$ Superconductor ${Bi}_{2} {Sr}_{2} {CaCu}_{2} O_{8 + δ}$
journal, February 2007

Observation of second-harmonic generation induced by pure spin currents
journal, August 2010

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
journal, January 2009

Stability of Nodal Quasiparticles in Superconductors with Coexisting Orders
journal, January 2008

Anisotropic softening of magnetic excitations in lightly electron-doped ${Sr}_{2} {IrO}_{4}$
journal, June 2016

Interplay of many-body and single-particle interactions in iridates and rhodates
journal, January 2014

The electronic structure of the high-symmetry perovskite iridate Ba ₂ IrO ₄
journal, January 2014