Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism

doi:https://doi.org/10.1103/PhysRevB.90.174511

Title: Symmetry of reentrant tetragonal phase in ${Ba}_{1 - x} {Na}_{x} {Fe}_{2} {As}_{2}$ : Magnetic versus orbital ordering mechanism

Abstract

Magnetostructural phase transitions in Ba _1-xA _xFe ₂As ₂ (A = K, Na) materials are discussed for both magnetically and orbitally driven mechanisms, using a symmetry analysis formulated within the Landau theory of phase transitions. Both mechanisms predict identical orthorhombic space-group symmetries for the nematic and magnetic phases observed over much of the phase diagram, but they predict different tetragonal space-group symmetries for the newly discovered reentrant tetragonal phase in Ba _1-xNa _xFe ₂As ₂ (x similar to 0.24-0.28). In a magnetic scenario, magnetic order with moments along the c axis, as found experimentally, does not allow any type of orbital order, but in an orbital scenario, we have determined two possible orbital patterns, specified by P4/mnc1' and I4221' space groups, which do not require atomic displacements relative to the parent I4/mmm1' symmetry and, in consequence, are indistinguishable in conventional diffraction experiments. We demonstrate that the three possible space groups are, however, distinct in resonant x-ray Bragg diffraction patterns created by Templeton & Templeton scattering. This provides an experimental method of distinguishing between magnetic and orbital models.

Authors:: Khalyavin, D. D.; Lovesey, S. W.; Manuel, P.; Krüger, F.; Rosenkranz, S.; Allred, J. M.; Chmaissem, O.; Osborn, R.

Publication Date:: 2014-11-24

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

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

OSTI Identifier:: 1392314

DOE Contract Number:: AC02-06CH11357

Resource Type:: Journal Article

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 90; Journal Issue: 17; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Citation Formats


                    Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., and Osborn, R. Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism.  United States: N. p., 2014. 
        Web.  doi:10.1103/PhysRevB.90.174511.

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                    Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., & Osborn, R. Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism.  United States.  https://doi.org/10.1103/PhysRevB.90.174511

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                    Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., and Osborn, R. Mon .  
        "Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism".  United States.  https://doi.org/10.1103/PhysRevB.90.174511.

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@article{osti_1392314,

  title        = {Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism},

  author       = {Khalyavin, D. D. and Lovesey, S. W. and Manuel, P. and Krüger, F. and Rosenkranz, S. and Allred, J. M. and Chmaissem, O. and Osborn, R.},

  abstractNote = {Magnetostructural phase transitions in Ba1-xAxFe2As2 (A = K, Na) materials are discussed for both magnetically and orbitally driven mechanisms, using a symmetry analysis formulated within the Landau theory of phase transitions. Both mechanisms predict identical orthorhombic space-group symmetries for the nematic and magnetic phases observed over much of the phase diagram, but they predict different tetragonal space-group symmetries for the newly discovered reentrant tetragonal phase in Ba1-xNaxFe2As2 (x similar to 0.24-0.28). In a magnetic scenario, magnetic order with moments along the c axis, as found experimentally, does not allow any type of orbital order, but in an orbital scenario, we have determined two possible orbital patterns, specified by P4/mnc1' and I4221' space groups, which do not require atomic displacements relative to the parent I4/mmm1' symmetry and, in consequence, are indistinguishable in conventional diffraction experiments. We demonstrate that the three possible space groups are, however, distinct in resonant x-ray Bragg diffraction patterns created by Templeton & Templeton scattering. This provides an experimental method of distinguishing between magnetic and orbital models.},

  doi          = {10.1103/PhysRevB.90.174511},

  url          = {https://www.osti.gov/biblio/1392314},
  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  issn         = {1098-0121},

  number       = 17,

  volume       = 90,

  place        = {United States},

  year         = {2014},

  month        = {11}

}

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Title: Symmetry of reentrant tetragonal phase in Ba 1 - x Na x Fe 2 As 2 : Magnetic versus orbital ordering mechanism

Abstract

Citation Formats

Orbital ordering and unfrustrated ( π , 0 ) magnetism from degenerate double exchange in the iron pnictides journal, July 2010

Finite-temperature spin dynamics and phase transitions in spin-orbital models journal, November 2009

Microscopically derived Ginzburg-Landau theory for magnetic order in the iron pnictides journal, December 2011

Magnetically driven suppression of nematic order in an iron-based superconductor journal, May 2014

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Nematic Susceptibility of Hole-Doped and Electron-Doped Ba F e 2 As 2 Iron-Based Superconductors from Shear Modulus Measurements journal, January 2014

Magnetic order close to superconductivity in the iron-based layered LaO1-xF x FeAs systems journal, May 2008

Structural, magnetic, and superconducting properties of Ba 1 − x Na x Fe 2 As 2 journal, September 2013

Coexistence of Competing Antiferromagnetic and Superconducting Phases in the Underdoped Ba ( Fe 0.953 Co 0.047 ) 2 As 2 Compound Using X-ray and Neutron Scattering Techniques journal, August 2009

Magnetic degeneracy and hidden metallicity of the spin-density-wave state in ferropnictides journal, January 2010

Analysis of azimuthal-angle scans in resonant x-ray Bragg diffraction and parity even and odd atomic multipoles in the multiferroic modification of the terbium manganate TbMnO 3 journal, January 2009

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Divergent Nematic Susceptibility in an Iron Arsenide Superconductor journal, August 2012

Orbital ordering induces structural phase transition and the resistivity anomaly in iron pnictides journal, December 2009

Ba 1- x Rb x Fe 2 As 2 and Generic Phase Behavior of Hole-doped 122-Type Superconductors : Ba journal, February 2014

Tensor X-ray optical properties of the bromate ion journal, March 1985

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Measurement of the elastoresistivity coefficients of the underdoped iron arsenide Ba(Fe 0.975 Co 0.025 ) 2 As 2 journal, August 2013

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Spin-orbital frustrations and anomalous metallic state in iron-pnictide superconductors journal, February 2009

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Preemptive nematic order, pseudogap, and orbital order in the iron pnictides journal, January 2012

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ISODISPLACE : a web-based tool for exploring structural distortions journal, July 2006

Magnetoelastic coupling in the phase diagram of Ba 1 − x K x Fe 2 As 2 as seen via neutron diffraction journal, May 2011

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Title: Symmetry of reentrant tetragonal phase in ${Ba}_{1 - x} {Na}_{x} {Fe}_{2} {As}_{2}$ : Magnetic versus orbital ordering mechanism

Orbital ordering and unfrustrated $(π, 0)$ magnetism from degenerate double exchange in the iron pnictides
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Finite-temperature spin dynamics and phase transitions in spin-orbital models
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journal, March 1985

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journal, October 2008

Phase diagram of Ba $_{1 - x}$ K $_{x}$ Fe $_{2}$ As $_{2}$
journal, May 2012

Magnetic symmetry in the Bilbao Crystallographic Server: a computer program to provide systematic absences of magnetic neutron diffraction
journal, November 2012

Measurement of the elastoresistivity coefficients of the underdoped iron arsenide Ba(Fe $_{0.975}$ Co $_{0.025}$ ) $_{2}$ As $_{2}$
journal, August 2013

Electronic nematicity above the structural and superconducting transition in BaFe2(As1−xP x )2
journal, June 2012

Orbital-Dependent Modifications of Electronic Structure across the Magnetostructural Transition in ${BaFe}_{2} {As}_{2}$
journal, February 2010

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journal, January 2014

Triple- $\vec{q}$ Octupolar Ordering in ${N p O}_{2}$
journal, October 2002

Spin-orbital frustrations and anomalous metallic state in iron-pnictide superconductors
journal, February 2009

Electronic properties of crystalline materials observed in X-ray diffraction
journal, May 2005

Preemptive nematic order, pseudogap, and orbital order in the iron pnictides
journal, January 2012

Character of the structural and magnetic phase transitions in the parent and electron-doped BaFe $_{2}$ As $_{2}$ compounds
journal, April 2011

ISODISPLACE : a web-based tool for exploring structural distortions
journal, July 2006

Magnetoelastic coupling in the phase diagram of Ba $_{1 - x}$ K $_{x}$ Fe $_{2}$ As $_{2}$ as seen via neutron diffraction
journal, May 2011

Unified Picture for Magnetic Correlations in Iron-Based Superconductors
journal, September 2010

Polarization anisotropy of X-ray atomic factors and `forbidden' resonant reflections
journal, August 2005