Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4

Dashwood, C. D.; Miao, H.; Vale, J. G.; Ishikawa, D.; Prishchenko, D. A.; Mazurenko, V. V.; Mazurenko, V. G.; Perry, R. S.; Cao, G.; de la Torre, A.; Baumberger, F.; Baron, A. Q. R.; McMorrow, D. F.; Dean, Mark P.

doi:10.1103/PhysRevB.100.085131

Title: Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4

Abstract

The mixing of orbital and spin character in the wavefunctions of the 5d iridates has led to predictions of strong couplings between their lattice, electronic and magnetic degrees of freedom. As well as realising a novel spin-orbit assisted Mott-insulating ground state, the perovskite iridate Sr₂IrO₄ has strong similarities with the cuprate La₂CuO₄, which on doping hosts a charge density wave that appears intimately connected to high-temperature superconductivity. These phenomena can be sensitively probed through momentum-resolved measurements of the lattice dynamics, made possible by meV-resolution inelastic x-ray scattering. Here we report the rst such measurements for both parent and electron-doped Sr2IrO4. We nd that the low-energy phonon dispersions and intensities in both compounds are well described by the same non-magnetic DFT calculation. In the parent compound, no changes of the phonons upon magnetic ordering are discernible within the experimental resolution, and in the doped compound no anomalies are apparent due to charge density waves. These measurements extend our knowledge of the lattice properties of (Sr_1-xLa_x)₂IrO₄, and constrain the couplings of the phonons to magnetic and charge order.

Authors:

Dashwood, C. D. ^[1]; Miao, H. ^[2]; Vale, J. G. ^[1]; Ishikawa, D. ^[3]; Prishchenko, D. A. ^[4]; Mazurenko, V. V. ^[4]; Mazurenko, V. G. ^[4]; Perry, R. S. ^[1]; Cao, G. ^[5]; de la Torre, A. ^[6]; Baumberger, F. ^[7]; Baron, A. Q. R. ^[3]; McMorrow, D. F. ^[1];

^[2]

Univ. College London (United Kingdom)
Brookhaven National Lab. (BNL), Upton, NY (United States)
RIKEN, Sayo Hyogo (Japan)
Ural Federal Univ., Ekaterinburg (Russian Federation)
Univ. of Colorado, Boulder, CO (United States)
California Inst. of Technology (CalTech), Pasadena, CA (United States); Univ. of Geneva (Switzerland)
Univ. of Geneva (Switzerland)

Publication Date:: 2019-08-30

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States)

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

OSTI Identifier:: 1557108

Alternate Identifier(s):: OSTI ID: 1558157

Report Number(s):: BNL-211965-2019-JAAM
Journal ID: ISSN 2469-9950

Grant/Contract Number:: SC0012704; 1047478; SC00112704

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 100; Journal Issue: 8; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Dashwood, C. D., Miao, H., Vale, J. G., Ishikawa, D., Prishchenko, D. A., Mazurenko, V. V., Mazurenko, V. G., Perry, R. S., Cao, G., de la Torre, A., Baumberger, F., Baron, A. Q. R., McMorrow, D. F., and Dean, Mark P.. Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4.  United States: N. p., 2019. 
Web.  doi:10.1103/PhysRevB.100.085131.

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                    Dashwood, C. D., Miao, H., Vale, J. G., Ishikawa, D., Prishchenko, D. A., Mazurenko, V. V., Mazurenko, V. G., Perry, R. S., Cao, G., de la Torre, A., Baumberger, F., Baron, A. Q. R., McMorrow, D. F., & Dean, Mark P.. Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4.  United States.  https://doi.org/10.1103/PhysRevB.100.085131

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                    Dashwood, C. D., Miao, H., Vale, J. G., Ishikawa, D., Prishchenko, D. A., Mazurenko, V. V., Mazurenko, V. G., Perry, R. S., Cao, G., de la Torre, A., Baumberger, F., Baron, A. Q. R., McMorrow, D. F., and Dean, Mark P.. Fri .  
"Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4".  United States.  https://doi.org/10.1103/PhysRevB.100.085131.  https://www.osti.gov/servlets/purl/1557108.

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@article{osti_1557108,

  title        = {Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4},

  author       = {Dashwood, C. D. and Miao, H. and Vale, J. G. and Ishikawa, D. and Prishchenko, D. A. and Mazurenko, V. V. and Mazurenko, V. G. and Perry, R. S. and Cao, G. and de la Torre, A. and Baumberger, F. and Baron, A. Q. R. and McMorrow, D. F. and Dean, Mark P.},

  abstractNote = {The mixing of orbital and spin character in the wavefunctions of the 5d iridates has led to predictions of strong couplings between their lattice, electronic and magnetic degrees of freedom. As well as realising a novel spin-orbit assisted Mott-insulating ground state, the perovskite iridate Sr2IrO4 has strong similarities with the cuprate La2CuO4, which on doping hosts a charge density wave that appears intimately connected to high-temperature superconductivity. These phenomena can be sensitively probed through momentum-resolved measurements of the lattice dynamics, made possible by meV-resolution inelastic x-ray scattering. Here we report the rst such measurements for both parent and electron-doped Sr2IrO4. We nd that the low-energy phonon dispersions and intensities in both compounds are well described by the same non-magnetic DFT calculation. In the parent compound, no changes of the phonons upon magnetic ordering are discernible within the experimental resolution, and in the doped compound no anomalies are apparent due to charge density waves. These measurements extend our knowledge of the lattice properties of (Sr1-xLax)2IrO4, and constrain the couplings of the phonons to magnetic and charge order.},

  doi          = {10.1103/PhysRevB.100.085131},

  journal      = {Physical Review B},

  number       = 8,

  volume       = 100,

  place        = {United States},

  year         = {2019},

  month        = {8}

}

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Title: Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4

Abstract

Citation Formats

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

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

The challenge of spin–orbit-tuned ground states in iridates: a key issues review journal, February 2018

Square Lattice Iridates journal, March 2019

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

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

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

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

Magnetic Excitation Spectra of Sr 2 IrO 4 Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors journal, April 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

Anisotropic exchange and spin-wave damping in pure and electron-doped Sr 2 IrO 4 journal, August 2017

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

Pseudo-Jahn-Teller Effect and Magnetoelastic Coupling in Spin-Orbit Mott Insulators journal, February 2019

Pseudospin-lattice coupling in the spin-orbit Mott insulator Sr 2 IrO 4 journal, February 2019

Unconventional spin-phonon coupling via the Dzyaloshinskii–Moriya interaction journal, April 2019

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

Strong Spin-Phonon Coupling Mediated by Single Ion Anisotropy in the All-In–All-Out Pyrochlore Magnet Cd 2 Os 2 O 7 journal, March 2017

Two-Magnon Raman Scattering and Pseudospin-Lattice Interactions in Sr 2 IrO 4 and Sr 3 Ir 2 O 7 journal, March 2016

Evidence for stripe correlations of spins and holes in copper oxide superconductors journal, June 1995

Resonant X-Ray Scattering Studies of Charge Order in Cuprates journal, March 2016

Charged magnetic domain lines and the magnetism of high- T c oxides journal, October 1989

Charged solitons in the Hartree-Fock approximation to the large- U Hubbard model journal, May 1989

Unidirectional spin density wave state in metallic (Sr1−xLax)2IrO4 journal, January 2018

A charge density wave-like instability in a doped spin–orbit-assisted weak Mott insulator journal, January 2017

Polarized Raman spectroscopy study of metallic ( S r 1 − x L a x ) 3 I r 2 O 7 : A consistent picture of disorder-interrupted unidirectional charge order journal, January 2019

Extended Phonon Collapse and the Origin of the Charge-Density Wave in 2 H − NbSe 2 journal, September 2011

Electron–phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors journal, April 2006

Incommensurate Phonon Anomaly and the Nature of Charge Density Waves in Cuprates journal, January 2018

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

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

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

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

Structure symmetry determination and magnetic evolution in Sr 2 Ir 1 − x Rh x O 4 journal, November 2015

Projector augmented-wave method journal, December 1994

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

Accurate and simple analytic representation of the electron-gas correlation energy journal, June 1992

First principles phonon calculations in materials science journal, November 2015

First-order structural transition and pressure-induced lattice/phonon anomalies in Sr 2 IrO 4 journal, September 2018

Raman scattering study of vibrational and magnetic excitations in Sr 2 − x La x IrO 4 journal, September 2017

Optical anisotropy of the J eff = 1 / 2 Mott insulator Sr 2 IrO 4 journal, July 2016

Anomalous Dispersion of LO Phonons in La 1.85 Sr 0.15 CuO 4 at Low Temperatures journal, January 1999

Softening of Cu-O Bond Stretching Phonons in Tetragonal HgBa 2 CuO 4 + δ journal, May 2004

q-Dependence of the giant bond-stretching phonon anomaly in the stripe compound La1.48Nd0.4Sr0.12CuO4 measured by IXS journal, December 2008

Bond Stretching Phonon Softening and Kinks in the Angle-Resolved Photoemission Spectra of Optimally Doped Bi 2 Sr 1.6 La 0.4 Cu 2 O 6 + δ Superconductors journal, June 2008

Comparison of stripe modulations in La 1.875 Ba 0.125 CuO 4 and La 1.48 Nd 0.4 Sr 0.12 CuO 4 journal, November 2011

Lattice dynamical studies of HTSC materials journal, December 1991

Sharp optical-phonon softening near optimal doping in La 2 − x Ba x CuO 4 + δ observed via inelastic x-ray scattering journal, October 2008

Inelastic X-ray scattering in YBa2Cu3O6.6 reveals giant phonon anomalies and elastic central peak due to charge-density-wave formation journal, November 2013

Validity and limitations of the superexchange model for the magnetic properties of Sr 2 IrO 4 and Ba 2 IrO 4 mediated by the strong spin-orbit coupling journal, December 2015

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

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

The challenge of spin–orbit-tuned ground states in iridates: a key issues review
journal, February 2018

Square Lattice Iridates
journal, March 2019

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

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

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

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

Magnetic Excitation Spectra of ${Sr}_{2} {IrO}_{4}$ Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors
journal, April 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

Anisotropic exchange and spin-wave damping in pure and electron-doped ${Sr}_{2} {IrO}_{4}$
journal, August 2017

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

Pseudo-Jahn-Teller Effect and Magnetoelastic Coupling in Spin-Orbit Mott Insulators
journal, February 2019

Pseudospin-lattice coupling in the spin-orbit Mott insulator ${Sr}_{2} {IrO}_{4}$
journal, February 2019

Unconventional spin-phonon coupling via the Dzyaloshinskii–Moriya interaction
journal, April 2019

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

Strong Spin-Phonon Coupling Mediated by Single Ion Anisotropy in the All-In–All-Out Pyrochlore Magnet ${Cd}_{2} {Os}_{2} O_{7}$
journal, March 2017

Two-Magnon Raman Scattering and Pseudospin-Lattice Interactions in ${Sr}_{2} {IrO}_{4}$ and ${Sr}_{3} {Ir}_{2} O_{7}$
journal, March 2016

Evidence for stripe correlations of spins and holes in copper oxide superconductors
journal, June 1995

Resonant X-Ray Scattering Studies of Charge Order in Cuprates
journal, March 2016

Charged magnetic domain lines and the magnetism of high- $T_{c}$ oxides
journal, October 1989

Charged solitons in the Hartree-Fock approximation to the large- U Hubbard model
journal, May 1989

Unidirectional spin density wave state in metallic (Sr1−xLax)2IrO4
journal, January 2018

A charge density wave-like instability in a doped spin–orbit-assisted weak Mott insulator
journal, January 2017

Polarized Raman spectroscopy study of metallic ${(S r_{1 − x} L a_{x})}_{3} I r_{2} O_{7}$ : A consistent picture of disorder-interrupted unidirectional charge order
journal, January 2019

Extended Phonon Collapse and the Origin of the Charge-Density Wave in $2 H − {NbSe}_{2}$
journal, September 2011

Electron–phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors
journal, April 2006

Incommensurate Phonon Anomaly and the Nature of Charge Density Waves in Cuprates
journal, January 2018

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

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

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

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

Structure symmetry determination and magnetic evolution in ${Sr}_{2} {Ir}_{1 - x} {Rh}_{x} O_{4}$
journal, November 2015

Projector augmented-wave method
journal, December 1994

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

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992

First principles phonon calculations in materials science
journal, November 2015

First-order structural transition and pressure-induced lattice/phonon anomalies in ${Sr}_{2} {IrO}_{4}$
journal, September 2018

Raman scattering study of vibrational and magnetic excitations in ${Sr}_{2 - x} {La}_{x} {IrO}_{4}$
journal, September 2017

Optical anisotropy of the $J_{eff} = 1 / 2$ Mott insulator ${Sr}_{2} {IrO}_{4}$
journal, July 2016

Anomalous Dispersion of LO Phonons in ${La}_{1.85} {Sr}_{0.15} {CuO}_{4}$ at Low Temperatures
journal, January 1999

Softening of Cu-O Bond Stretching Phonons in Tetragonal ${HgBa}_{2} {CuO}_{4 + δ}$
journal, May 2004

q-Dependence of the giant bond-stretching phonon anomaly in the stripe compound La1.48Nd0.4Sr0.12CuO4 measured by IXS
journal, December 2008

Bond Stretching Phonon Softening and Kinks in the Angle-Resolved Photoemission Spectra of Optimally Doped ${Bi}_{2} {Sr}_{1.6} {La}_{0.4} {Cu}_{2} O_{6 + δ}$ Superconductors
journal, June 2008

Comparison of stripe modulations in La $_{1.875}$ Ba $_{0.125}$ CuO $_{4}$ and La $_{1.48}$ Nd $_{0.4}$ Sr $_{0.12}$ CuO $_{4}$
journal, November 2011

Lattice dynamical studies of HTSC materials
journal, December 1991

Sharp optical-phonon softening near optimal doping in ${La}_{2 - x} {Ba}_{x} {CuO}_{4 + δ}$ observed via inelastic x-ray scattering
journal, October 2008

Inelastic X-ray scattering in YBa2Cu3O6.6 reveals giant phonon anomalies and elastic central peak due to charge-density-wave formation
journal, November 2013

Validity and limitations of the superexchange model for the magnetic properties of ${Sr}_{2} {IrO}_{4}$ and ${Ba}_{2} {IrO}_{4}$ mediated by the strong spin-orbit coupling
journal, December 2015