Slater insulator in iridate perovskites with strong spin-orbit coupling

Cui, Q.; Cheng, J. -G.; Fan, W.; Taylor, Alice E.; Calder, Stuart A.; McGuire, Michael A.; Yan, Jia -Qiang; Meyers, D.; Li, X.; Cai, Y. Q.; Jiao, Y. Y.; Choi, Y.; Haskel, Daniel; Gotou, H.; Uwatoko, Yoshiya; Chakhalian, J.; Christianson, Andrew D.; Yunoki, S.; Goodenough, J. B.; Zhou, J. -S.

doi:10.1103/PhysRevLett.117.176603

Title: Slater insulator in iridate perovskites with strong spin-orbit coupling

Abstract

The perovskite SrIrO₃ is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn⁴⁺ for Ir⁴⁺ in the SrIr_1–xSn_xO₃ perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T_N ≥ 225 K. The continuous change of the cell volume as detected by x-ray diffraction and the λ-shape transition of the specific heat on cooling through T_N demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below T_N. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. Furthermore, a reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T_N in the same way as proposedmore » by Slater.« less

Authors:

Cui, Q. ^[1]; Cheng, J. -G. ^[2]; Fan, W. ^[3]; Taylor, Alice E. ^[4]; Calder, Stuart A. ^[4]; McGuire, Michael A. ^[4]; Yan, Jia -Qiang ^[5]; Meyers, D. ^[6]; Li, X. ^[7]; Cai, Y. Q. ^[1]; Jiao, Y. Y. ^[1]; Choi, Y. ^[8]; Haskel, Daniel ^[8]; Gotou, H. ^[9]; Uwatoko, Yoshiya ^[9]; Chakhalian, J. ^[10]; Christianson, Andrew D. ^[5]; Yunoki, S. ^[11]; Goodenough, J. B. ^[7]; Zhou, J. -S. ^[7]

Chinese Academy of Sciences (CAS), Beijing (China)
Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Texas at Austin, Austin, TX (United States)
RIKEN, Saitama (Japan)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Arkansas, Fayetteville, AR (United States)
Univ. of Texas at Austin, Austin, TX (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Tokyo, Chiba (Japan)
Rutgers Univ., Piscataway, NJ (United States)
RIKEN, Saitama (Japan); RIKEN Advanced Institute for Computational Science (AICS), Hyogo (Japan); RIKEN Center for Emergent Matter Science (CEMS), Saitama (Japan)

Publication Date:: Thu Oct 20 00:00:00 EDT 2016

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1330558

Alternate Identifier(s):: OSTI ID: 1329447

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 117; Journal Issue: 17; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Cui, Q., Cheng, J. -G., Fan, W., Taylor, Alice E., Calder, Stuart A., McGuire, Michael A., Yan, Jia -Qiang, Meyers, D., Li, X., Cai, Y. Q., Jiao, Y. Y., Choi, Y., Haskel, Daniel, Gotou, H., Uwatoko, Yoshiya, Chakhalian, J., Christianson, Andrew D., Yunoki, S., Goodenough, J. B., and Zhou, J. -S. Slater insulator in iridate perovskites with strong spin-orbit coupling.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevLett.117.176603.

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                    Cui, Q., Cheng, J. -G., Fan, W., Taylor, Alice E., Calder, Stuart A., McGuire, Michael A., Yan, Jia -Qiang, Meyers, D., Li, X., Cai, Y. Q., Jiao, Y. Y., Choi, Y., Haskel, Daniel, Gotou, H., Uwatoko, Yoshiya, Chakhalian, J., Christianson, Andrew D., Yunoki, S., Goodenough, J. B., & Zhou, J. -S. Slater insulator in iridate perovskites with strong spin-orbit coupling.  United States.  https://doi.org/10.1103/PhysRevLett.117.176603

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                    Cui, Q., Cheng, J. -G., Fan, W., Taylor, Alice E., Calder, Stuart A., McGuire, Michael A., Yan, Jia -Qiang, Meyers, D., Li, X., Cai, Y. Q., Jiao, Y. Y., Choi, Y., Haskel, Daniel, Gotou, H., Uwatoko, Yoshiya, Chakhalian, J., Christianson, Andrew D., Yunoki, S., Goodenough, J. B., and Zhou, J. -S. Thu .  
"Slater insulator in iridate perovskites with strong spin-orbit coupling".  United States.  https://doi.org/10.1103/PhysRevLett.117.176603.  https://www.osti.gov/servlets/purl/1330558.

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@article{osti_1330558,

  title        = {Slater insulator in iridate perovskites with strong spin-orbit coupling},

  author       = {Cui, Q. and Cheng, J. -G. and Fan, W. and Taylor, Alice E. and Calder, Stuart A. and McGuire, Michael A. and Yan, Jia -Qiang and Meyers, D. and Li, X. and Cai, Y. Q. and Jiao, Y. Y. and Choi, Y. and Haskel, Daniel and Gotou, H. and Uwatoko, Yoshiya and Chakhalian, J. and Christianson, Andrew D. and Yunoki, S. and Goodenough, J. B. and Zhou, J. -S.},

  abstractNote = {The perovskite SrIrO3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn4+ for Ir4+ in the SrIr1–xSnxO3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at TN ≥ 225 K. The continuous change of the cell volume as detected by x-ray diffraction and the λ-shape transition of the specific heat on cooling through TN demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below TN. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. Furthermore, a reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below TN in the same way as proposed by Slater.},

  doi          = {10.1103/PhysRevLett.117.176603},

  journal      = {Physical Review Letters},

  number       = 17,

  volume       = 117,

  place        = {United States},

  year         = {Thu Oct 20 00:00:00 EDT 2016},

  month        = {Thu Oct 20 00:00:00 EDT 2016}

}

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Optical study on the possible Slater insulator $SrIr_{0.8} Sn_{0.2} O_{3}$

Journal Article Zheng, P. ; Cui, Q. ; Chen, Z. G. ; ... - Physical Review B

The orthorhombic perovskite iridate SrIr_0.8Sn_0.2O₃ is reported to be a new candidate of Slater insulator at low temperatures. Here, we present optical spectroscopy measurements on SrIr_0.8Sn_0.2O₃ at different temperatures (T) across the paramagnetic-antiferromagnetic phase transition. The low energy reflectivity decreases with reducing T. Six phonon peaks in the spectrum at low T are visible at room temperature, indicating the absence of crystal structure phase transition from 300 K to 10 K. The real part of conductivity spectra σ₁ (ω) are obtained by employing the standard Kramers-Kronig transformation. In the paramagnetic state at room temperature, σ₁ (ω) reaches a limiting valuemore »« less
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https://doi.org/10.1103/physrevb.100.045101

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Title: Slater insulator in iridate perovskites with strong spin-orbit coupling

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Magnetically Driven Metal-Insulator Transition in NaOsO 3 journal, June 2012

Anomalous magnetic and transport behavior in the magnetic insulator Sr 3 Ir 2 O 7 journal, December 2002

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

High-pressure synthesis of orthorhombic SrIrO3 perovskite and its positive magnetoresistance journal, May 2008

Tetrahedral Magnetic Order and the Metal-Insulator Transition in the Pyrochlore Lattice of Cd 2 Os 2 O 7 journal, June 2012

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

Lattice-driven magnetoresistivity and metal-insulator transition in single-layered iridates journal, September 2011

Spin-orbit coupling in iridium-based 5 d compounds probed by x-ray absorption spectroscopy journal, November 2012

Correlated Quantum Phenomena in the Strong Spin-Orbit Regime journal, March 2014

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal, September 1976

Mott physics and band topology in materials with strong spin–orbit interaction journal, March 2010

Topological Spin Liquid on the Hyperkagome Lattice of Na 4 Ir 3 O 8 journal, June 2008

Continuous metal-insulator transition in the pyrochlore Cd 2 Os 2 O 7 journal, April 2001

Metal-insulator transitions journal, October 1998

Magnetic Effects and the Hartree-Fock Equation journal, May 1951

Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: LaNiO 3 and LaCuO 3 journal, June 2014

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

Spin-Orbit-Coupling Effects in Transition-Metal Compounds journal, July 1968

Structure and properties of the high and low pressure forms of SrIrO3 journal, May 1971

Correlated-Electron Physics in Transition-Metal Oxides journal, July 2003

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

Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of BaIrO 3 journal, November 2010

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

Magnetic Structure of LaCrO 3 Perovskite under High Pressure from In Situ Neutron Diffraction journal, January 2011

High-pressure structure and bonding in CaIrO3: The structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction journal, November 2007

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

Transport and thermal properties of weakly ferromagnetic Sr 2 IrO 4 journal, August 2006

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Enhanced spin-phonon-electronic coupling in a 5d oxide journal, November 2015

Dimensionality-Controlled Insulator-Metal Transition and Correlated Metallic State in 5 d Transition Metal Oxides Sr n + 1 Ir n O 3 n + 1 ( n = 1 , 2, and ∞ ) journal, November 2008

Evolution of competing magnetic order in the J eff = 1 / 2 insulating state of Sr 2 Ir 1 − x Ru x O 4 journal, October 2015

Semimetal and Topological Insulator in Perovskite Iridates journal, March 2012

Intrinsic structural distortion in orthorhombic perovskite oxides journal, April 2008

Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I journal, February 1957

Pressure Tuning of the Spin-Orbit Coupled Ground State in Sr 2 IrO 4 journal, July 2012

Na 4 Ir 3 O 8 as a 3D Spin Liquid with Fermionic Spinons journal, November 2008

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

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates journal, May 2011

Metal-insulator transitions journal, June 1991

Metal-insulator transitions journal, January 1980

Semimetal and Topological Insulator in Perovskite Iridates text, January 2011

Tetrahedral Magnetic Order and the Metal-Insulator Transition in the Pyrochlore Lattice of Cd2Os2O7 text, January 2012

Spin-Orbit Coupling in Iridium-Based 5d Compounds Probed by X-ray Absorption Spectroscopy text, January 2012

Correlated quantum phenomena in the strong spin-orbit regime text, January 2013

Engineering spin-orbital magnetic insulator by tailoring superlattices text, January 2014

Odd-parity triplet superconductivity in multi-orbital materials with strong spin-orbit coupling: applications to doped Sr2IrO4 text, January 2014

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Structural and electrical properties of epitaxial perovskite CaIr 1− x Ru x O 3 thin films journal, September 2018

Contrasted Sn substitution effects on Dirac line node semimetals SrIrO 3 and CaIrO 3 journal, December 2019

Optical study on the possible Slater insulator SrIr 0.8 Sn 0.2 O 3 journal, July 2019

Variational cluster approach to thermodynamic properties of interacting fermions at finite temperatures: A case study of the two-dimensional single-band Hubbard model at half filling journal, November 2018

Epitaxial growth and antiferromagnetism of Sn-substituted perovskite iridate SrI r 0.8 S n 0.2 O 3 journal, December 2019

Contrasted Sn Substitution effects on Dirac line node semimetals SrIrO$_{3}$ and CaIrO$_{3}$ preprint, January 2019

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

Magnetically Driven Metal-Insulator Transition in ${NaOsO}_{3}$
journal, June 2012

Anomalous magnetic and transport behavior in the magnetic insulator ${Sr}_{3} {Ir}_{2} O_{7}$
journal, December 2002

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

High-pressure synthesis of orthorhombic SrIrO3 perovskite and its positive magnetoresistance
journal, May 2008

Tetrahedral Magnetic Order and the Metal-Insulator Transition in the Pyrochlore Lattice of ${Cd}_{2} {Os}_{2} O_{7}$
journal, June 2012

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

Lattice-driven magnetoresistivity and metal-insulator transition in single-layered iridates
journal, September 2011

Spin-orbit coupling in iridium-based 5 $d$ compounds probed by x-ray absorption spectroscopy
journal, November 2012

Correlated Quantum Phenomena in the Strong Spin-Orbit Regime
journal, March 2014

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Mott physics and band topology in materials with strong spin–orbit interaction
journal, March 2010

Topological Spin Liquid on the Hyperkagome Lattice of ${Na}_{4} {Ir}_{3} O_{8}$
journal, June 2008

Continuous metal-insulator transition in the pyrochlore ${Cd}_{2} {Os}_{2} O_{7}$
journal, April 2001

Metal-insulator transitions
journal, October 1998

Magnetic Effects and the Hartree-Fock Equation
journal, May 1951

Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: ${LaNiO}_{3}$ and ${LaCuO}_{3}$
journal, June 2014

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

Spin-Orbit-Coupling Effects in Transition-Metal Compounds
journal, July 1968

Structure and properties of the high and low pressure forms of SrIrO3
journal, May 1971

Correlated-Electron Physics in Transition-Metal Oxides
journal, July 2003

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

Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of ${BaIrO}_{3}$
journal, November 2010

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

Magnetic Structure of ${LaCrO}_{3}$ Perovskite under High Pressure from In Situ Neutron Diffraction
journal, January 2011

High-pressure structure and bonding in CaIrO3: The structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction
journal, November 2007

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

Transport and thermal properties of weakly ferromagnetic Sr ₂ IrO ₄
journal, August 2006

Post-perovskite CaIrO $_{3}$ : A $j = 1 / 2$ quasi-one-dimensional antiferromagnet
journal, June 2012

Enhanced spin-phonon-electronic coupling in a 5d oxide
journal, November 2015

Dimensionality-Controlled Insulator-Metal Transition and Correlated Metallic State in $5 d$ Transition Metal Oxides ${Sr}_{n + 1} {Ir}_{n} O_{3 n + 1}$ ( $n = 1$ , 2, and $\infty$ )
journal, November 2008

Evolution of competing magnetic order in the $J_{eff} = 1 / 2$ insulating state of ${Sr}_{2} {Ir}_{1 - x} {Ru}_{x} O_{4}$
journal, October 2015

Semimetal and Topological Insulator in Perovskite Iridates
journal, March 2012

Intrinsic structural distortion in orthorhombic perovskite oxides
journal, April 2008

Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I
journal, February 1957

Pressure Tuning of the Spin-Orbit Coupled Ground State in ${Sr}_{2} {IrO}_{4}$
journal, July 2012

${Na}_{4} {Ir}_{3} O_{8}$ as a 3D Spin Liquid with Fermionic Spinons
journal, November 2008

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

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011

Metal-insulator transitions
journal, June 1991

Metal-insulator transitions
journal, January 1980

Semimetal and Topological Insulator in Perovskite Iridates
text, January 2011

Tetrahedral Magnetic Order and the Metal-Insulator Transition in the Pyrochlore Lattice of Cd2Os2O7
text, January 2012

Spin-Orbit Coupling in Iridium-Based 5d Compounds Probed by X-ray Absorption Spectroscopy
text, January 2012

Correlated quantum phenomena in the strong spin-orbit regime
text, January 2013

Engineering spin-orbital magnetic insulator by tailoring superlattices
text, January 2014

Odd-parity triplet superconductivity in multi-orbital materials with strong spin-orbit coupling: applications to doped Sr2IrO4
text, January 2014

Electron Correlations Engineer Catalytic Activity of Pyrochlore Iridates for Acidic Water Oxidation
journal, December 2018

Strong-correlation induced high-mobility electrons in Dirac semimetal of perovskite oxide
journal, January 2019

Effect of Nb concentration on the spin-orbit coupling strength in Nb-doped SrTiO3 epitaxial thin films
journal, April 2018

A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory
journal, September 2018

Structural and electrical properties of epitaxial perovskite CaIr _{1− x} Ru _x O ₃ thin films
journal, September 2018

Contrasted Sn substitution effects on Dirac line node semimetals SrIrO ₃ and CaIrO ₃
journal, December 2019

Optical study on the possible Slater insulator $SrIr_{0.8} Sn_{0.2} O_{3}$
journal, July 2019

Variational cluster approach to thermodynamic properties of interacting fermions at finite temperatures: A case study of the two-dimensional single-band Hubbard model at half filling
journal, November 2018

Epitaxial growth and antiferromagnetism of Sn-substituted perovskite iridate $SrI r_{0.8} S n_{0.2} O_{3}$
journal, December 2019

Contrasted Sn Substitution effects on Dirac line node semimetals SrIrO$_{3}$ and CaIrO$_{3}$
preprint, January 2019