Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

Peterson, Christi; Swift, Michael W.; Porter, Zach; Clément, Raphaële J.; Wu, Guang; Ahn, G. H.; Moon, S. J.; Chakoumakos, B. C.; Ruff, Jacob P. C.; Cao, Huibo; Van de Walle, Chris; Wilson, Stephen D.

doi:10.1103/PhysRevB.98.155128

Title: ${Sr}_{3} {Ir}_{2} O_{7} F_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

Authors:: Peterson, Christi; Swift, Michael W.; Porter, Zach; Clément, Raphaële J.; Wu, Guang; Ahn, G. H.; Moon, S. J.; Chakoumakos, B. C.; Ruff, Jacob P. C.; Cao, Huibo; Van de Walle, Chris; Wilson, Stephen D.

Publication Date:: Tue Oct 16 00:00:00 EDT 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1478570

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 15; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, and Wilson, Stephen D. Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevB.98.155128.

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                    Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, & Wilson, Stephen D. Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator.  United States.  https://doi.org/10.1103/PhysRevB.98.155128

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                    Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, and Wilson, Stephen D. Tue .  
"Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator".  United States.  https://doi.org/10.1103/PhysRevB.98.155128.

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@article{osti_1478570,

  title        = {Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator},

  author       = {Peterson, Christi and Swift, Michael W. and Porter, Zach and Clément, Raphaële J. and Wu, Guang and Ahn, G. H. and Moon, S. J. and Chakoumakos, B. C. and Ruff, Jacob P. C. and Cao, Huibo and Van de Walle, Chris and Wilson, Stephen D.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.98.155128},

  journal      = {Physical Review B},

  number       = 15,

  volume       = 98,

  place        = {United States},

  year         = {Tue Oct 16 00:00:00 EDT 2018},

  month        = {Tue Oct 16 00:00:00 EDT 2018}

}

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Title: Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

Citation Formats

Single crystal structure determination of double layered strontium iridium oxide [Sr3Ir2O7] journal, June 1994

Generalized Gradient Approximation Made Simple journal, October 1996

Structural evolution and electronic properties of ( Sr 1 − x Ca x ) 2 − y IrO 4 + z spin-orbit-assisted insulators journal, November 2016

Superconductivity in doped Sr 2 IrO 4 : A functional renormalization group study journal, March 2014

Projector augmented-wave method journal, December 1994

WinGX and ORTEP for Windows : an update journal, July 2012

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

Structural investigation of the bilayer iridate Sr 3 Ir 2 O 7 journal, April 2016

Superconducting phase diagram of In x WO 3 synthesized by indium deintercalation journal, July 2013

Electron doping in Sr 3 Ir 2 O 7 : Collapse of band gap and magnetic order journal, August 2018

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

Canted antiferromagnetic ground state in Sr 3 Ir 2 O 7 journal, March 2007

Excitonic Magnetism in Van Vleck–type d 4 Mott Insulators journal, November 2013

A spin–orbital-entangled quantum liquid on a honeycomb lattice journal, February 2018

Stacked charge stripes in the quasi-2D trilayer nickelate La 4 Ni 3 O 8 journal, July 2016

Sol–gel synthesis and characterisation of nanoscopic strontium fluoride journal, January 2014

Origin of the Spin-Orbital Liquid State in a Nearly J = 0 Iridate Ba 3 ZnIr 2 O 9 journal, March 2016

Double-layered ruthenate Sr 3 Ru 2 O 7 F 2 formed by fluorine insertion into Sr 3 Ru 2 O 7 journal, August 2000

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New material for probing spin-orbit coupling in iridates journal, April 2015

Disordered dimer state in electron-doped Sr 3 Ir 2 O 7 journal, September 2016

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New honeycomb iridium( v ) oxides: NaIrO 3 and Sr 3 CaIr 2 O 9 journal, January 2015

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Fluorine insertion reactions into pre-formed metal oxides journal, April 2007

A time-of-flight neutron diffraction study of anharmonic thermal vibrations in SrF2, at the spallation neutron source ISIS journal, March 1989

Cu 2 IrO 3 : A New Magnetically Frustrated Honeycomb Iridate journal, October 2017

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

Spin-orbit coupling induced semi-metallic state in the 1/3 hole-doped hyper-kagome Na3Ir3O8 journal, October 2014

Novel magnetic state in d 4 Mott insulators journal, February 2015

Engineering a Spin-Orbital Magnetic Insulator by Tailoring Superlattices journal, June 2015

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Magnetic properties of bilayer Sr 3 Ir 2 O 7 : Role of epitaxial strain and oxygen vacancies journal, January 2017

First-Order Melting of a Weak Spin-Orbit Mott Insulator into a Correlated Metal journal, June 2015

Iridium containing honeycomb Delafossites by topotactic cation exchange journal, January 2016

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Title: ${Sr}_{3} {Ir}_{2} O_{7} F_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

Single crystal structure determination of double layered strontium iridium oxide [Sr3Ir2O7]
journal, June 1994

Generalized Gradient Approximation Made Simple
journal, October 1996

Structural evolution and electronic properties of ${({Sr}_{1 - x} {Ca}_{x})}_{2 - y} {IrO}_{4 + z}$ spin-orbit-assisted insulators
journal, November 2016

Superconductivity in doped ${Sr}_{2} {IrO}_{4}$ : A functional renormalization group study
journal, March 2014

Projector augmented-wave method
journal, December 1994

WinGX and ORTEP for Windows : an update
journal, July 2012

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

Structural investigation of the bilayer iridate ${Sr}_{3} {Ir}_{2} O_{7}$
journal, April 2016

Superconducting phase diagram of In _x WO ₃ synthesized by indium deintercalation
journal, July 2013

Electron doping in ${Sr}_{3} {Ir}_{2} O_{7}$ : Collapse of band gap and magnetic order
journal, August 2018

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Canted antiferromagnetic ground state in Sr ₃ Ir ₂ O ₇
journal, March 2007

Excitonic Magnetism in Van Vleck–type $d^{4}$ Mott Insulators
journal, November 2013

A spin–orbital-entangled quantum liquid on a honeycomb lattice
journal, February 2018

Stacked charge stripes in the quasi-2D trilayer nickelate La ₄ Ni ₃ O ₈
journal, July 2016

Sol–gel synthesis and characterisation of nanoscopic strontium fluoride
journal, January 2014

Origin of the Spin-Orbital Liquid State in a Nearly $J = 0$ Iridate ${Ba}_{3} {ZnIr}_{2} O_{9}$
journal, March 2016

Double-layered ruthenate ${Sr}_{3} {Ru}_{2} O_{7} F_{2}$ formed by fluorine insertion into ${Sr}_{3} {Ru}_{2} O_{7}$
journal, August 2000

La ₂ SrCr ₂ O ₇ F ₂ : A Ruddlesden–Popper Oxyfluoride Containing Octahedrally Coordinated Cr ⁴⁺ Centers
journal, March 2016

New material for probing spin-orbit coupling in iridates
journal, April 2015

Disordered dimer state in electron-doped ${Sr}_{3} {Ir}_{2} O_{7}$
journal, September 2016

Topochemical Fluorination of Sr ₃ (M _0.5 Ru _0.5 ) ₂ O ₇ (M = Ti, Mn, Fe), n = 2, Ruddlesden–Popper Phases
journal, February 2013

New honeycomb iridium( v ) oxides: NaIrO ₃ and Sr ₃ CaIr ₂ O ₉
journal, January 2015

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A time-of-flight neutron diffraction study of anharmonic thermal vibrations in SrF2, at the spallation neutron source ISIS
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Spin-orbit coupling induced semi-metallic state in the 1/3 hole-doped hyper-kagome Na3Ir3O8
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Novel magnetic state in $d^{4}$ Mott insulators
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Engineering a Spin-Orbital Magnetic Insulator by Tailoring Superlattices
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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First-Order Melting of a Weak Spin-Orbit Mott Insulator into a Correlated Metal
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Iridium containing honeycomb Delafossites by topotactic cation exchange
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Evidence of quantum dimer excitations in ${Sr}_{3} {Ir}_{2} O_{7}$
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Technique for measuring the reflectance of irregular, submillimeter-sized samples
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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 $\infty$ )
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Influence of electron doping on the ground state of $({Sr}_{1 - x} {La}_{x})_{2} {IrO}_{4}$
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Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
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Carrier localization and electronic phase separation in a doped spin-orbit-driven Mott phase in Sr3(Ir1–xRux)2O7
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Syntheses, powder neutron diffraction structures and Mössbauer studies of some complex iron oxyfluorides: Sr3Fe2O6F0.87, Sr2FeO3F and Ba2InFeO5F0.68
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Vapor Pressures and Sublimation Enthalpies of Copper Difluoride and Silver(I, II) Fluorides by the Torsion−Effusion Method
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Directed Lifting of Inversion Symmetry in Ruddlesden–Popper Oxide–Fluorides: Toward Ferroelectric and Multiferroic Behavior
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Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
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