Reinvestigation of crystal symmetry and fluctuations in La2CuO4

Sapkota, Aashish; Sterling, T. C.; Lozano, P. M.; Li, Yangmu; Cao, Huibo; Garlea, Vasile O.; Reznik, D.; Li, Qiang; Zaliznyak, I. A.; Gu, G. D.; Tranquada, J. M.

doi:10.1103/physrevb.104.014304

Title: Reinvestigation of crystal symmetry and fluctuations in ${La}_{2} {CuO}_{4}$

Abstract

New surprises continue to be revealed about ${La}_{2} {CuO}_{4}$ , the parent compound of the original cuprate superconductor. In this study we present neutron scattering evidence that the structural symmetry is lower than commonly assumed. The static distortion results in anisotropic Cu-O bonds within the ${CuO}_{2}$ planes; such anisotropy is relevant to pinning charge stripes in hole-doped samples. Associated with the extra structural modulation is a soft phonon mode. If this phonon were to soften completely, the resulting change in ${CuO}_{6}$ octahedral tilts would lead to weak ferromagnetism. Hence, we suggest that this mode may be the “chiral” phonon inferred from recent studies of the thermal Hall effect. We also note the absence of interaction between the antiferromagnetic spin waves and low-energy optical phonons, in contrast to what is observed in hole-doped samples.

Authors:

^[1];

^[2];

^[3];

^[1];

^[4];

^[4]; Reznik, D. ^[2]; Li, Qiang ^[3]; Zaliznyak, I. A. ^[1]; Gu, G. D. ^[1];

^[1]

Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics
Univ. of Colorado, Boulder, CO (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics; Stony Brook Univ., NY (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division

Publication Date:: Wed Jul 07 00:00:00 EDT 2021

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States); National Renewable Energy Lab. (NREL), Golden, CO (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Colorado, Boulder, CO (United States)

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

OSTI Identifier:: 1807943

Alternate Identifier(s):: OSTI ID: 1818650; OSTI ID: 1842478

Report Number(s):: BNL-221799-2021-JAAM
Journal ID: ISSN 2469-9950; TRN: US2212864

Grant/Contract Number:: SC0012704; SC0006939; AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 104; Journal Issue: 1; 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; crystal structure; lattice dynamics; phonons; antiferromagnets; charge-transfer insulators; single crystal materials; time-of-flight neutron spectroscopy; Crystalline systems

Citation Formats


                    Sapkota, Aashish, Sterling, T. C., Lozano, P. M., Li, Yangmu, Cao, Huibo, Garlea, Vasile O., Reznik, D., Li, Qiang, Zaliznyak, I. A., Gu, G. D., and Tranquada, J. M. Reinvestigation of crystal symmetry and fluctuations in La2CuO4.  United States: N. p., 2021. 
Web.  doi:10.1103/physrevb.104.014304.

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                    Sapkota, Aashish, Sterling, T. C., Lozano, P. M., Li, Yangmu, Cao, Huibo, Garlea, Vasile O., Reznik, D., Li, Qiang, Zaliznyak, I. A., Gu, G. D., & Tranquada, J. M. Reinvestigation of crystal symmetry and fluctuations in La2CuO4.  United States.  https://doi.org/10.1103/physrevb.104.014304

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                    Sapkota, Aashish, Sterling, T. C., Lozano, P. M., Li, Yangmu, Cao, Huibo, Garlea, Vasile O., Reznik, D., Li, Qiang, Zaliznyak, I. A., Gu, G. D., and Tranquada, J. M. Wed .  
"Reinvestigation of crystal symmetry and fluctuations in La2CuO4".  United States.  https://doi.org/10.1103/physrevb.104.014304.  https://www.osti.gov/servlets/purl/1807943.

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@article{osti_1807943,

  title        = {Reinvestigation of crystal symmetry and fluctuations in La2CuO4},

  author       = {Sapkota, Aashish and Sterling, T. C. and Lozano, P. M. and Li, Yangmu and Cao, Huibo and Garlea, Vasile O. and Reznik, D. and Li, Qiang and Zaliznyak, I. A. and Gu, G. D. and Tranquada, J. M.},

  abstractNote = {New surprises continue to be revealed about La2CuO4, the parent compound of the original cuprate superconductor. In this study we present neutron scattering evidence that the structural symmetry is lower than commonly assumed. The static distortion results in anisotropic Cu-O bonds within the CuO2 planes; such anisotropy is relevant to pinning charge stripes in hole-doped samples. Associated with the extra structural modulation is a soft phonon mode. If this phonon were to soften completely, the resulting change in CuO6 octahedral tilts would lead to weak ferromagnetism. Hence, we suggest that this mode may be the “chiral” phonon inferred from recent studies of the thermal Hall effect. We also note the absence of interaction between the antiferromagnetic spin waves and low-energy optical phonons, in contrast to what is observed in hole-doped samples.},

  doi          = {10.1103/physrevb.104.014304},

  journal      = {Physical Review B},

  number       = 1,

  volume       = 104,

  place        = {United States},

  year         = {Wed Jul 07 00:00:00 EDT 2021},

  month        = {Wed Jul 07 00:00:00 EDT 2021}

}

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Mirror symmetry breaking in a model insulating cuprate
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Nature Physics, Vol. 17, Issue 7
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Title: Reinvestigation of crystal symmetry and fluctuations in La 2 CuO 4

Abstract

Citation Formats

Neutron scattering studies of spin-phonon hybridization and superconducting spin gaps in the high-temperature superconductor La 2 − x ( Sr , Ba ) x CuO 4 journal, March 2016

Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments journal, November 2014

Theory of Dzyaloshinski-Moriya antiferromagnetism in distorted CuO 2 and NiO 2 planes journal, August 1994

Projector augmented-wave method journal, December 1994

Berry Phase of Phonons and Thermal Hall Effect in Nonmagnetic Insulators journal, December 2019

Spin gap and magnetic coherence in a clean high-temperature superconductor journal, July 1999

Dzyaloshinsky-Moriya spin canting in the low-temperature tetragonal phase of La 2 − x − y Eu y Sr x Cu O 4 journal, December 2004

Crystal structure and high-field magnetism of La 2 Cu O 4 journal, April 2006

Universal Behavior of the Thermal Hall Conductivity journal, May 2020

Moriya’s anisotropic superexchange interaction, frustration, and Dzyaloshinsky’s weak ferromagnetism journal, August 1992

Néel temperature of stoichiometric La 2 CuO 4 journal, October 1989

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

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

Néel transition and sublattice magnetization of pure and doped La 2 CuO 4 journal, April 1992

Structural phase transitions and weak ferromagnetism in La 2 − x Nd x CuO 4 + δ journal, May 1993

Incommensurate Spin Fluctuations in High-Transition Temperature Superconductors journal, August 1997

Cu-O network dependence of optical charge-transfer gaps and spin-pair excitations in single- CuO 2 -layer compounds journal, June 1990

Cuprate superconductors as viewed through a striped lens journal, October 2020

Magnetic susceptibility anisotropies in a two-dimensional quantum Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interactions journal, January 2006

Superconducting phase of La 2 Cu O 4 + δ : A superconducting composition resulting from phase separation journal, December 1988

Confirmation of antiferromagnetism in La 2 CuO 4 − y with polarized neutrons journal, July 1987

Phonon Thermal Hall Effect in Strontium Titanate journal, March 2020

Low-temperature behavior of two-dimensional quantum antiferromagnets journal, March 1988

Ab initiomolecular dynamics for liquid metals journal, January 1993

The structure of La2CuO4 and LaSrVO4 journal, April 1973

Lattice instability and high- T c superconductivity in La 2 − x Ba x CuO 4 journal, March 1987

Two-Dimensional Orbital-Like Magnetic Order in the High-Temperature La 2 − x Sr x CuO 4 Superconductor journal, July 2010

Quasi-two-dimensional spin and phonon excitations in La 1.965 Ba 0.035 CuO 4 journal, June 2015

Electron-phonon coupling and superconductivity in the doped topological crystalline insulator ( Pb 0.5 Sn 0.5 ) 1 − x In x Te journal, September 2020

Evidence for electron-electron correlations in La2CuO4 and La2−xSrxCuO4 superconductors journal, August 1987

Robust antiferromagnetic spin waves across the metal-insulator transition in hole-doped BaMn 2 As 2 journal, June 2017

Structural instabilities in lanthanum cuprate superconductors journal, April 1994

Lattice instability and soft phonons in single-crystal La 2 − x Sr x Cu O 4 journal, July 1988

Two-dimensional antiferromagnetic quantum spin-fluid state in La 2 CuO 4 journal, October 1987

Neutron Scattering Study of Soft Phonons and Diffuse Scattering in Insulating La 1.95 Sr 0.05 CuO 4 journal, December 2004

Cohesion energy and structural phase stability in La 2 CuO 4 : The orthorhombic state journal, January 1991

Neutron-Scattering Evidence for a Periodically Modulated Superconducting Phase in the Underdoped Cuprate La 1.905 Ba 0.095 CuO 4 journal, October 2014

Continuous magnetic and structural phase transitions in Fe 1 + y Te journal, February 2012

Low-energy antiferromagnetic spin fluctuations limit the coherent superconducting gap in cuprates journal, December 2018

Intercalation and staging behavior in super-oxygenated La2CuO4 + δ journal, December 1996

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Stripe order in superconducting La 2 − x Ba x CuO 4 ( 0 . 095 ⩽ x ⩽ 0 . 155 ) journal, March 2011

Forbidden phonon: Dynamical signature of bond symmetry breaking in the iron chalcogenides journal, September 2016

Possible highT c superconductivity in the Ba?La?Cu?O system journal, June 1986

Antisymmetric exchange and its influence on the magnetic structure and conductivity of La 2 Cu O 4 journal, July 1988

Magnetic susceptibility of a Cu O 2 plane in the La 2 Cu O 4 system: I. Random-phase approximation treatment of the Dzyaloshinskii-Moriya interactions journal, June 2005

Theory of the pseudogap state of the cuprates journal, April 2006

Enhanced thermal Hall effect in the square-lattice Néel state journal, October 2019

From quantum matter to high-temperature superconductivity in copper oxides journal, February 2015

Three-dimensional magnetic structures and rare-earth magnetic ordering in Nd 2 CuO 4 and Pr 2 CuO 4 journal, December 1990

Influence of oxygen defects on the physical properties of La 2 Cu O 4 − y journal, September 1987

La 139 NMR study of phase separation in single-crystal La 2 CuO 4 + δ journal, October 1990

Empty perovskites as Coulomb floppy networks: Entropic elasticity and negative thermal expansion journal, April 2021

First-principles calculations of phonon dispersion and lattice dynamics in La 2 CuO 4 journal, April 1999

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

First principles phonon calculations in materials science journal, November 2015

Gapless spin excitations in superconducting La 2 − x Ca 1 + x Cu 2 O 6 with T c up to 55 K journal, May 2019

�ber Oxocuprate. XV Zur Kristallstruktur von Seltenerdmetalloxocupraten: La2CuO4, Gd2CuO4 journal, January 1977

Consideration of thermal Hall effect in undoped cuprates journal, May 2019

Charge density wave fluctuations in La 2 − x Sr x CuO 4 and their competition with superconductivity journal, June 2014

Neutron-scattering study of the transition from antiferromagnetic to weak ferromagnetic order in La 2 Cu O 4 journal, October 1988

Soft phonon behavior and magnetism at the low temperature structural phase transition of La1.65Nd0.35CuO4 journal, September 1993

Soft-phonon behavior and transport in single-crystal La 2 CuO 4 journal, September 1987

Lattice instabilities, isotope effect, and high- T c superconductivity in La 2 − x Ba x CuO 4 journal, July 1991

Chiral phonons in the pseudogap phase of cuprates journal, July 2020

C 63 u NQR Measurement of Stripe Order Parameter in La 2 − x Sr x CuO 4 journal, May 1999

Antiferromagnetism in La 2 CuO 4 − y journal, June 1987

Rotated stripe order and its competition with superconductivity in La 1.88 Sr 0.12 CuO 4 journal, September 2014

Preparation and characterization of alkaline-earth substituted superconducting La2CuO4 journal, June 1987

Giant thermal Hall conductivity in the pseudogap phase of cuprate superconductors journal, July 2019

Weak Ferromagnetism and Tricriticality in Pure La 2 Cu O 4 journal, August 1994

Spin-orbit coupling and spirals in doped La 2 CuO 4 journal, April 1992

Self-interaction correction to density-functional approximations for many-electron systems journal, May 1981

Observation of the Antiferromagnetic Ordering in La 2 CuO 4 journal, April 1987

Structural Instability Associated with the Tilting of CuO 6 Octahedra in La 2 - x Sr x CuO 4 journal, March 2000

Structural phase transformations and superconductivity in La 2 − x Ba x CuO 4 journal, June 1989

Thermal Hall conductivity in the cuprate Mott insulators Nd2CuO4 and Sr2CuO2Cl2 journal, October 2020

Title: Reinvestigation of crystal symmetry and fluctuations in ${La}_{2} {CuO}_{4}$

Neutron scattering studies of spin-phonon hybridization and superconducting spin gaps in the high-temperature superconductor ${La}_{2 - x} {(Sr, Ba)}_{x} {CuO}_{4}$
journal, March 2016

Mantid—Data analysis and visualization package for neutron scattering and $μ$ SR experiments
journal, November 2014

Theory of Dzyaloshinski-Moriya antiferromagnetism in distorted ${CuO}_{2}$ and ${NiO}_{2}$ planes
journal, August 1994

Projector augmented-wave method
journal, December 1994

Berry Phase of Phonons and Thermal Hall Effect in Nonmagnetic Insulators
journal, December 2019

Spin gap and magnetic coherence in a clean high-temperature superconductor
journal, July 1999

Dzyaloshinsky-Moriya spin canting in the low-temperature tetragonal phase of ${La}_{2 - x - y} {Eu}_{y} {Sr}_{x} Cu O_{4}$
journal, December 2004

Crystal structure and high-field magnetism of ${La}_{2} Cu O_{4}$
journal, April 2006

Universal Behavior of the Thermal Hall Conductivity
journal, May 2020

Moriya’s anisotropic superexchange interaction, frustration, and Dzyaloshinsky’s weak ferromagnetism
journal, August 1992

Néel temperature of stoichiometric ${La}_{2}$ ${CuO}_{4}$
journal, October 1989

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

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

Néel transition and sublattice magnetization of pure and doped ${La}_{2}$ ${CuO}_{4}$
journal, April 1992

Structural phase transitions and weak ferromagnetism in ${La}_{2 - x}$ ${Nd}_{x}$ ${CuO}_{4 + δ}$
journal, May 1993

Incommensurate Spin Fluctuations in High-Transition Temperature Superconductors
journal, August 1997

Cu-O network dependence of optical charge-transfer gaps and spin-pair excitations in single- ${CuO}_{2}$ -layer compounds
journal, June 1990

Cuprate superconductors as viewed through a striped lens
journal, October 2020

Magnetic susceptibility anisotropies in a two-dimensional quantum Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interactions
journal, January 2006

Superconducting phase of ${La}_{2} Cu O_{4 + δ}$ : A superconducting composition resulting from phase separation
journal, December 1988

Confirmation of antiferromagnetism in ${La}_{2}$ ${CuO}_{4 - y}$ with polarized neutrons
journal, July 1987

Phonon Thermal Hall Effect in Strontium Titanate
journal, March 2020

Low-temperature behavior of two-dimensional quantum antiferromagnets
journal, March 1988

Ab initiomolecular dynamics for liquid metals
journal, January 1993

The structure of La2CuO4 and LaSrVO4
journal, April 1973

Lattice instability and high- $T_{c}$ superconductivity in ${La}_{2 - x}$ ${Ba}_{x}$ ${CuO}_{4}$
journal, March 1987

Two-Dimensional Orbital-Like Magnetic Order in the High-Temperature ${La}_{2 - x} {Sr}_{x} {CuO}_{4}$ Superconductor
journal, July 2010

Quasi-two-dimensional spin and phonon excitations in ${La}_{1.965} {Ba}_{0.035} {CuO}_{4}$
journal, June 2015

Electron-phonon coupling and superconductivity in the doped topological crystalline insulator ${({Pb}_{0.5} {Sn}_{0.5})}_{1 - x} {In}_{x} Te$
journal, September 2020

Evidence for electron-electron correlations in La2CuO4 and La2−xSrxCuO4 superconductors
journal, August 1987

Robust antiferromagnetic spin waves across the metal-insulator transition in hole-doped ${BaMn}_{2} {As}_{2}$
journal, June 2017

Structural instabilities in lanthanum cuprate superconductors
journal, April 1994

Lattice instability and soft phonons in single-crystal ${La}_{2 - x} {Sr}_{x} Cu O_{4}$
journal, July 1988

Two-dimensional antiferromagnetic quantum spin-fluid state in ${La}_{2}$ ${CuO}_{4}$
journal, October 1987

Neutron Scattering Study of Soft Phonons and Diffuse Scattering in Insulating La _1.95 Sr _0.05 CuO ₄
journal, December 2004

Cohesion energy and structural phase stability in ${La}_{2}$ ${CuO}_{4}$ : The orthorhombic state
journal, January 1991

Neutron-Scattering Evidence for a Periodically Modulated Superconducting Phase in the Underdoped Cuprate ${La}_{1.905} {Ba}_{0.095} {CuO}_{4}$
journal, October 2014

Continuous magnetic and structural phase transitions in Fe $_{1 + y}$ Te
journal, February 2012

Low-energy antiferromagnetic spin fluctuations limit the coherent superconducting gap in cuprates
journal, December 2018

Intercalation and staging behavior in super-oxygenated La2CuO4 + δ
journal, December 1996

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Stripe order in superconducting La $_{2 - x}$ Ba $_{x}$ CuO $_{4}$ ( $0.095 ⩽ x ⩽ 0.155$ )
journal, March 2011

Forbidden phonon: Dynamical signature of bond symmetry breaking in the iron chalcogenides
journal, September 2016

Possible highT c superconductivity in the Ba?La?Cu?O system
journal, June 1986

Antisymmetric exchange and its influence on the magnetic structure and conductivity of ${La}_{2}$ Cu $O_{4}$
journal, July 1988

Magnetic susceptibility of a $Cu O_{2}$ plane in the ${La}_{2} Cu O_{4}$ system: I. Random-phase approximation treatment of the Dzyaloshinskii-Moriya interactions
journal, June 2005

Theory of the pseudogap state of the cuprates
journal, April 2006

Enhanced thermal Hall effect in the square-lattice Néel state
journal, October 2019

From quantum matter to high-temperature superconductivity in copper oxides
journal, February 2015

Three-dimensional magnetic structures and rare-earth magnetic ordering in ${Nd}_{2}$ ${CuO}_{4}$ and $\Pr_{2}$ ${CuO}_{4}$
journal, December 1990

Influence of oxygen defects on the physical properties of ${La}_{2} Cu O_{4 - y}$
journal, September 1987

${}^{139}{La}$ NMR study of phase separation in single-crystal ${La}_{2}$ ${CuO}_{4 + δ}$
journal, October 1990

Empty perovskites as Coulomb floppy networks: Entropic elasticity and negative thermal expansion
journal, April 2021

First-principles calculations of phonon dispersion and lattice dynamics in ${La}_{2} {CuO}_{4}$
journal, April 1999

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

First principles phonon calculations in materials science
journal, November 2015

Gapless spin excitations in superconducting ${La}_{2 - x} {Ca}_{1 + x} {Cu}_{2} O_{6}$ with $T_{c}$ up to 55 K
journal, May 2019

�ber Oxocuprate. XV Zur Kristallstruktur von Seltenerdmetalloxocupraten: La2CuO4, Gd2CuO4
journal, January 1977

Consideration of thermal Hall effect in undoped cuprates
journal, May 2019

Charge density wave fluctuations in ${La}_{2 - x}$ ${Sr}_{x}$ ${CuO}_{4}$ and their competition with superconductivity
journal, June 2014

Neutron-scattering study of the transition from antiferromagnetic to weak ferromagnetic order in ${La}_{2}$ Cu $O_{4}$
journal, October 1988

Soft phonon behavior and magnetism at the low temperature structural phase transition of La1.65Nd0.35CuO4
journal, September 1993

Soft-phonon behavior and transport in single-crystal ${La}_{2}$ ${CuO}_{4}$
journal, September 1987

Lattice instabilities, isotope effect, and high- $T_{c}$ superconductivity in ${La}_{2 - x}$ ${Ba}_{x}$ ${CuO}_{4}$
journal, July 1991

Chiral phonons in the pseudogap phase of cuprates
journal, July 2020

${}^{63}C u$ NQR Measurement of Stripe Order Parameter in ${La}_{2 - x} {Sr}_{x} {CuO}_{4}$
journal, May 1999

Antiferromagnetism in ${La}_{2}$ ${CuO}_{4 - y}$
journal, June 1987

Rotated stripe order and its competition with superconductivity in ${La}_{1.88} {Sr}_{0.12} {CuO}_{4}$
journal, September 2014

Preparation and characterization of alkaline-earth substituted superconducting La2CuO4
journal, June 1987

Giant thermal Hall conductivity in the pseudogap phase of cuprate superconductors
journal, July 2019

Weak Ferromagnetism and Tricriticality in Pure ${La}_{2}$ Cu $O_{4}$
journal, August 1994

Spin-orbit coupling and spirals in doped ${La}_{2}$ ${CuO}_{4}$
journal, April 1992

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981

Observation of the Antiferromagnetic Ordering in La ₂ CuO ₄
journal, April 1987

Structural Instability Associated with the Tilting of CuO ₆ Octahedra in La _{2 - x} Sr _x CuO ₄
journal, March 2000

Structural phase transformations and superconductivity in ${La}_{2 - x}$ ${Ba}_{x}$ ${CuO}_{4}$
journal, June 1989

Thermal Hall conductivity in the cuprate Mott insulators Nd2CuO4 and Sr2CuO2Cl2
journal, October 2020

Unusual Magnetic Susceptibility Anisotropy in Untwinned ${La}_{2 - x} {Sr}_{x} {CuO}_{4}$ Single Crystals in the Lightly Doped Region
journal, June 2001

Mirror symmetry breaking in a model insulating cuprate
journal, April 2021