Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O

Zhang, G.; Glasbrenner, J. K.; Flint, R.; Mazin, I. I.; Fernandes, R. M.

doi:10.1103/PhysRevB.95.174402

Title: Double-stage nematic bond ordering above double stripe magnetism: Application to ${BaTi}_{2} {Sb}_{2} O$

Abstract

Spin-driven nematicity, or the breaking of the point-group symmetry of the lattice without long-range magnetic order, is clearly quite important in iron-based superconductors. From a symmetry point of view, nematic order can be described as a coherent locking of spin fluctuations in two interpenetrating Néel sublattices with ensuing nearest-neighbor bond order and an absence of static magnetism. In this paper, we argue that the low-temperature state of the recently discovered superconductor ${BaTi}_{2} {Sb}_{2} O$ is a strong candidate for a more exotic form of spin-driven nematic order, in which fluctuations occurring in four Néel sublattices promote both nearest- and next-nearest-neighbor bond order. We develop a low-energy field theory of this state and show that it can have, as a function of temperature, up to two separate bond-order phase transitions, namely, one that breaks rotation symmetry and one that breaks reflection and translation symmetries of the lattice. The resulting state has an orthorhombic lattice distortion, an intra-unit-cell charge density wave, and no long-range magnetic order, all consistent with reported measurements of the low-temperature phase of ${BaTi}_{2} {Sb}_{2} O$ . Finally, we then use density functional theory calculations to extract exchange parameters to confirm that the model is applicable to ${BaTi}_{2} {Sb}_{2} O$ .

Authors:

Zhang, G. ^[1]; Glasbrenner, J. K. ^[2]; Flint, R. ^[1]; Mazin, I. I. ^[2]; Fernandes, R. M. ^[3]

Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy. Division of Materials Science and Engineering
Naval Research Lab. (NRL), Washington, DC (United States)
Univ. of Minnesota, Minneapolis, MN (United States). School of Physics and Astronomy

Publication Date:: Mon May 01 00:00:00 EDT 2017

Research Org.:: Univ. of Minnesota, Minneapolis, MN (United States); Ames Lab. and Iowa State Univ., Ames, IA (United States); Naval Research Lab. (NRL), Washington, DC (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Office of Naval Research (ONR) (United States); National Science Foundation (NSF)

OSTI Identifier:: 1362273

Alternate Identifier(s):: OSTI ID: 1354753

Grant/Contract Number:: SC0012336; AC02-07CH11358; PHYS-1066293

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 95; Journal Issue: 17; 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


                    Zhang, G., Glasbrenner, J. K., Flint, R., Mazin, I. I., and Fernandes, R. M. Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.95.174402.

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                    Zhang, G., Glasbrenner, J. K., Flint, R., Mazin, I. I., & Fernandes, R. M. Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O.  United States.  https://doi.org/10.1103/PhysRevB.95.174402

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                    Zhang, G., Glasbrenner, J. K., Flint, R., Mazin, I. I., and Fernandes, R. M. Mon .  
"Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O".  United States.  https://doi.org/10.1103/PhysRevB.95.174402.  https://www.osti.gov/servlets/purl/1362273.

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@article{osti_1362273,

  title        = {Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi2Sb2O},

  author       = {Zhang, G. and Glasbrenner, J. K. and Flint, R. and Mazin, I. I. and Fernandes, R. M.},

  abstractNote = {Spin-driven nematicity, or the breaking of the point-group symmetry of the lattice without long-range magnetic order, is clearly quite important in iron-based superconductors. From a symmetry point of view, nematic order can be described as a coherent locking of spin fluctuations in two interpenetrating Néel sublattices with ensuing nearest-neighbor bond order and an absence of static magnetism. In this paper, we argue that the low-temperature state of the recently discovered superconductor BaTi2Sb2O is a strong candidate for a more exotic form of spin-driven nematic order, in which fluctuations occurring in four Néel sublattices promote both nearest- and next-nearest-neighbor bond order. We develop a low-energy field theory of this state and show that it can have, as a function of temperature, up to two separate bond-order phase transitions, namely, one that breaks rotation symmetry and one that breaks reflection and translation symmetries of the lattice. The resulting state has an orthorhombic lattice distortion, an intra-unit-cell charge density wave, and no long-range magnetic order, all consistent with reported measurements of the low-temperature phase of BaTi2Sb2O. Finally, we then use density functional theory calculations to extract exchange parameters to confirm that the model is applicable to BaTi2Sb2O.},

  doi          = {10.1103/PhysRevB.95.174402},

  journal      = {Physical Review B},

  number       = 17,

  volume       = 95,

  place        = {United States},

  year         = {Mon May 01 00:00:00 EDT 2017},

  month        = {Mon May 01 00:00:00 EDT 2017}

}

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Ishida, Kousuke; Tsujii, Masaya; Hosoi, Suguru
Proceedings of the National Academy of Sciences, Vol. 117, Issue 12
DOI: 10.1073/pnas.1909172117

Competing magnetic interactions in a spin- $\frac{1}{2}$ square lattice: Hidden order in ${Sr}_{2} {VO}_{4}$
journal, November 2017

Kim, Bongjae; Khmelevskyi, Sergii; Mohn, Peter
Physical Review B, Vol. 96, Issue 18
DOI: 10.1103/physrevb.96.180405

Possible Bicollinear Nematic State with Monoclinic Lattice Distortions in Iron Telluride Compounds
text, January 2017

Bishop, C. B.; Herbrych, J.; Dagotto, E.
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DOI: 10.48550/arxiv.1704.03495

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Title: Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi 2 Sb 2 O

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Synthesis and Physical Properties of the New Oxybismuthides BaTi 2 Bi 2 O and (SrF) 2 Ti 2 Bi 2 O with a d 1 Square Net journal, January 2013

Ising and spin orders in the iron-based superconductors journal, July 2008

Ba 1– x Na x Ti 2 Sb 2 O (0.0 ≤ x ≤ 0.33): A Layered Titanium-Based Pnictide Oxide Superconductor journal, September 2012

Nematic State of Pnictides Stabilized by Interplay between Spin, Orbital, and Lattice Degrees of Freedom journal, July 2013

Conventional superconductivity and charge-density-wave ordering in Ba 1 − x Na x Ti 2 Sb 2 O journal, October 2013

Nematic spin correlations in the tetragonal state of uniaxial-strained BaFe2-xNixAs2 journal, July 2014

Consistent model of magnetism in ferropnictides journal, March 2011

Phase transitions in spin-orbital models with spin-space anisotropies for iron pnictides: Monte Carlo simulations journal, February 2012

Effect of magnetic frustration on nematicity and superconductivity in iron chalcogenides journal, August 2015

Quantum criticality in the iron pnictides and chalcogenides journal, May 2011

Two Superconducting Phases in the Isovalent Solid Solutions BaTi 2 Pn 2 O ( Pn = As, Sb, and Bi) journal, March 2013

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

Pressure Induced Static Magnetic Order in Superconducting FeSe 1 − x journal, February 2010

First-principles study of the minimal model of magnetic interactions in Fe-based superconductors journal, February 2014

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal, August 1995

Electronic liquid-crystal phases of a doped Mott insulator journal, June 1998

Nematic phase without Heisenberg physics in FeAs planes journal, December 2011

Ab initiomolecular dynamics for liquid metals journal, January 1993

Powder Neutron Diffraction Studies of Na2Ti2Sb2O and Its Structure–Property Relationships journal, September 2000

Theory of the evolution of magnetic order in Fe 1 + y Te compounds with increasing interstitial iron journal, October 2014

Magnetism in Parent Iron Chalcogenides: Quantum Fluctuations Select Plaquette Order journal, October 2012

Symmetry Breaking in the Collinear Phase of the J 1 − J 2 Heisenberg Model journal, June 2003

Electron-phonon superconductivity and charge density wave instability in the layered titanium-based pnictide BaTi 2 Sb 2 O journal, February 2013

Itinerant electrons, local moments, and magnetic correlations in the pnictide superconductors CeFeAsO 1 − x F x and Sr(Fe 1 − x Co x ) 2 As 2 journal, June 2012

Ubiquitous signatures of nematic quantum criticality in optimally doped Fe-based superconductors journal, May 2016

Tunable ( δ π , δ π )-Type Antiferromagnetic Order in α -Fe(Te,Se) Superconductors journal, June 2009

Possible Charge-Density-Wave/Spin-Density-Wave in the Layered Pnictide−Oxides: Na 2 Ti 2 Pn 2 O (Pn = As, Sb) journal, May 2001

A key role for unusual spin dynamics in ferropnictides journal, December 2008

Theoretical prediction of nematic orbital-ordered state in the Ti oxypnictide superconductor BaTi 2 ( As , Sb ) 2 O journal, June 2016

Magnetoelastic effects in iron telluride journal, March 2011

Interplay between magnetic properties and Fermi surface nesting in iron pnictides journal, April 2009

Structural Quantum Criticality and Superconductivity in Iron-Based Superconductor Ba(Fe 1- x Co x ) 2 As 2 journal, February 2012

Darstellung und Kristallstruktur der Pnictidoxide Na2Ti2As2O und Na2Ti2Sb2O journal, January 1990

Spin-liquid polymorphism in a correlated electron system on the threshold of superconductivity journal, August 2015

Electronic structure, disconnected Fermi surfaces and antiferromagnetism in the layered pnictide superconductor Na x Ba 1− x Ti 2 Sb 2 O journal, December 2012

Superconductivity in Ba1−xKxTi2Sb2O (0 ≤ x ≤ 1) controlled by the layer charge journal, February 2014

Pressure-Induced Antiferromagnetic Transition and Phase Diagram in FeSe journal, June 2015

Enhancement of Superconductivity near a Nematic Quantum Critical Point journal, March 2015

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

Excitonic and nematic instabilities on the surface of topological Kondo insulators journal, December 2015

Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors journal, July 2016

New phase transition in Na 2 Ti 2 As 2 O revealed by Raman scattering journal, April 2016

Revealing the dual nature of magnetism in iron pnictides and iron chalcogenides using x-ray emission spectroscopy journal, September 2011

Spin nematic fluctuations near a spin-density-wave phase journal, July 2015

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

Quenched disorder and vestigial nematicity in the pseudogap regime of the cuprates journal, May 2014

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors journal, December 2014

Superconductivity in BaTi 2 Sb 2 O with a d 1 Square Lattice journal, October 2012

The electronic structure and magnetism of BaTi 2 Sb 2 O journal, June 2013

Ising transition in frustrated Heisenberg models journal, January 1990

A site-selective antiferromagnetic ground state in layered pnictide-oxide BaTi 2 As 2 O journal, May 2014

Dimensional crossover in the quasi-two-dimensional Ising-O(3) model journal, December 2011

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

Structure and physical properties for a new layered pnictide-oxide: BaTi 2 As 2 O journal, February 2010

s -wave superconductivity in superconducting BaTi 2 Sb 2 O revealed by 121 / 123 Sb-NMR/nuclear quadrupole resonance measurements journal, February 2013

Muon spin relaxation and electron/neutron diffraction studies of BaTi 2 (As 1 − x Sb x ) 2 O: Absence of static magnetism and superlattice reflections journal, December 2013

Spin-driven nematic instability of the multiorbital Hubbard model: Application to iron-based superconductors journal, February 2016

Paramagnetic spin correlations in CaFe 2 As 2 single crystals journal, June 2010

Structural, electronic properties, and chemical bonding in quaternary layered titanium pnictide-oxides Na2Ti2Pn2O and BaTi2Pn2O (Pn=As, Sb) from FLAPW–GGA calculations journal, July 2013

What drives nematic order in iron-based superconductors? journal, January 2014

Theory of electron nematic order in LaFeAsO journal, June 2008

Charge-density-wave order with momentum ( 2 Q , 0 ) and ( 0 , 2 Q ) within the spin-fermion model: Continuous and discrete symmetry breaking, preemptive composite order, and relation to pseudogap in hole-doped cuprates journal, July 2014

First-order magnetic and structural phase transitions in Fe 1 + y Se x Te 1 − x journal, February 2009

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

Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction journal, April 2020

Pressure induced static magnetic order in superconducting FeSe_{1-x} text, January 2010

Dimensional crossover in the quasi-two-dimensional Ising-O(3) model journal, September 2011

Consistent model of magnetism in ferropnictides text, January 2010

Magnetoelastic Effects in Iron Telluride text, January 2010

Nematic phase without Heisenberg physics in FeAs planes text, January 2011

Microscopically derived Ginzburg-Landau theory for magnetic order in the iron pnictides text, January 2011

Preemptive nematic order, pseudogap, and orbital order in the iron pnictides text, January 2011

Structural quantum criticality and superconductivity in iron-based superconductor Ba(Fe1-xCox)2As2 text, January 2011

Nematic State of the Pnictides Stabilized by the Interplay Between Spin, Orbital, and Lattice Degrees of Freedom text, January 2013

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors text, January 2014

Excitonic and Nematic Instabilities on the Surface of Topological Kondo Insulators text, January 2014

Title: Double-stage nematic bond ordering above double stripe magnetism: Application to ${BaTi}_{2} {Sb}_{2} O$

Generalized Gradient Approximation Made Simple
journal, October 1996

Synthesis and Physical Properties of the New Oxybismuthides BaTi ₂ Bi ₂ O and (SrF) ₂ Ti ₂ Bi ₂ O with a d ¹ Square Net
journal, January 2013

Ising and spin orders in the iron-based superconductors
journal, July 2008

Ba _{1– x} Na _x Ti ₂ Sb ₂ O (0.0 ≤ x ≤ 0.33): A Layered Titanium-Based Pnictide Oxide Superconductor
journal, September 2012

Nematic State of Pnictides Stabilized by Interplay between Spin, Orbital, and Lattice Degrees of Freedom
journal, July 2013

Conventional superconductivity and charge-density-wave ordering in Ba $_{1 - x}$ Na $_{x}$ Ti $_{2}$ Sb $_{2}$ O
journal, October 2013

Nematic spin correlations in the tetragonal state of uniaxial-strained BaFe2-xNixAs2
journal, July 2014

Consistent model of magnetism in ferropnictides
journal, March 2011

Phase transitions in spin-orbital models with spin-space anisotropies for iron pnictides: Monte Carlo simulations
journal, February 2012

Effect of magnetic frustration on nematicity and superconductivity in iron chalcogenides
journal, August 2015

Quantum criticality in the iron pnictides and chalcogenides
journal, May 2011

Two Superconducting Phases in the Isovalent Solid Solutions BaTi ₂ Pn ₂ O ( Pn = As, Sb, and Bi)
journal, March 2013

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

Pressure Induced Static Magnetic Order in Superconducting ${FeSe}_{1 - x}$
journal, February 2010

First-principles study of the minimal model of magnetic interactions in Fe-based superconductors
journal, February 2014

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Electronic liquid-crystal phases of a doped Mott insulator
journal, June 1998

Nematic phase without Heisenberg physics in FeAs planes
journal, December 2011

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Powder Neutron Diffraction Studies of Na2Ti2Sb2O and Its Structure–Property Relationships
journal, September 2000

Theory of the evolution of magnetic order in ${Fe}_{1 + y} Te$ compounds with increasing interstitial iron
journal, October 2014

Magnetism in Parent Iron Chalcogenides: Quantum Fluctuations Select Plaquette Order
journal, October 2012

Symmetry Breaking in the Collinear Phase of the $J_{1} - J_{2}$ Heisenberg Model
journal, June 2003

Electron-phonon superconductivity and charge density wave instability in the layered titanium-based pnictide BaTi $_{2}$ Sb $_{2}$ O
journal, February 2013

Itinerant electrons, local moments, and magnetic correlations in the pnictide superconductors CeFeAsO $_{1 - x}$ F $_{x}$ and Sr(Fe $_{1 - x}$ Co $_{x}$ ) $_{2}$ As $_{2}$
journal, June 2012

Ubiquitous signatures of nematic quantum criticality in optimally doped Fe-based superconductors
journal, May 2016

Tunable ( $δ π$ , $δ π$ )-Type Antiferromagnetic Order in $α$ -Fe(Te,Se) Superconductors
journal, June 2009

Possible Charge-Density-Wave/Spin-Density-Wave in the Layered Pnictide−Oxides: Na ₂ Ti ₂ Pn ₂ O (Pn = As, Sb)
journal, May 2001

A key role for unusual spin dynamics in ferropnictides
journal, December 2008

Theoretical prediction of nematic orbital-ordered state in the Ti oxypnictide superconductor ${BaTi}_{2} {(As, Sb)}_{2} O$
journal, June 2016

Magnetoelastic effects in iron telluride
journal, March 2011

Interplay between magnetic properties and Fermi surface nesting in iron pnictides
journal, April 2009

Structural Quantum Criticality and Superconductivity in Iron-Based Superconductor Ba(Fe _{1- x} Co _x ) ₂ As ₂
journal, February 2012

Darstellung und Kristallstruktur der Pnictidoxide Na2Ti2As2O und Na2Ti2Sb2O
journal, January 1990

Spin-liquid polymorphism in a correlated electron system on the threshold of superconductivity
journal, August 2015

Electronic structure, disconnected Fermi surfaces and antiferromagnetism in the layered pnictide superconductor Na _x Ba _{1− x} Ti ₂ Sb ₂ O
journal, December 2012

Superconductivity in Ba1−xKxTi2Sb2O (0 ≤ x ≤ 1) controlled by the layer charge
journal, February 2014

Pressure-Induced Antiferromagnetic Transition and Phase Diagram in FeSe
journal, June 2015

Enhancement of Superconductivity near a Nematic Quantum Critical Point
journal, March 2015

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

Excitonic and nematic instabilities on the surface of topological Kondo insulators
journal, December 2015

Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors
journal, July 2016

New phase transition in ${Na}_{2} {Ti}_{2} {As}_{2} O$ revealed by Raman scattering
journal, April 2016

Revealing the dual nature of magnetism in iron pnictides and iron chalcogenides using x-ray emission spectroscopy
journal, September 2011

Spin nematic fluctuations near a spin-density-wave phase
journal, July 2015

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

Quenched disorder and vestigial nematicity in the pseudogap regime of the cuprates
journal, May 2014

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors
journal, December 2014

Superconductivity in BaTi ₂ Sb ₂ O with a d ¹ Square Lattice
journal, October 2012

The electronic structure and magnetism of BaTi ₂ Sb ₂ O
journal, June 2013

Ising transition in frustrated Heisenberg models
journal, January 1990

A site-selective antiferromagnetic ground state in layered pnictide-oxide BaTi ₂ As ₂ O
journal, May 2014

Dimensional crossover in the quasi-two-dimensional Ising-O(3) model
journal, December 2011

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

Structure and physical properties for a new layered pnictide-oxide: BaTi ₂ As ₂ O
journal, February 2010

$s$ -wave superconductivity in superconducting BaTi $_{2}$ Sb $_{2}$ O revealed by $^{121 / 123}$ Sb-NMR/nuclear quadrupole resonance measurements
journal, February 2013

Muon spin relaxation and electron/neutron diffraction studies of BaTi $_{2}$ (As $_{1 - x}$ Sb $_{x}$ ) $_{2}$ O: Absence of static magnetism and superlattice reflections
journal, December 2013

Spin-driven nematic instability of the multiorbital Hubbard model: Application to iron-based superconductors
journal, February 2016

Paramagnetic spin correlations in ${CaFe}_{2} {As}_{2}$ single crystals
journal, June 2010

Structural, electronic properties, and chemical bonding in quaternary layered titanium pnictide-oxides Na2Ti2Pn2O and BaTi2Pn2O (Pn=As, Sb) from FLAPW–GGA calculations
journal, July 2013

What drives nematic order in iron-based superconductors?
journal, January 2014

Theory of electron nematic order in LaFeAsO
journal, June 2008

Charge-density-wave order with momentum $(2 Q, 0)$ and $(0, 2 Q)$ within the spin-fermion model: Continuous and discrete symmetry breaking, preemptive composite order, and relation to pseudogap in hole-doped cuprates
journal, July 2014

First-order magnetic and structural phase transitions in ${Fe}_{1 + y} {Se}_{x} {Te}_{1 - x}$
journal, February 2009

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

Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction
journal, April 2020

Pressure induced static magnetic order in superconducting FeSe_{1-x}
text, January 2010

Dimensional crossover in the quasi-two-dimensional Ising-O(3) model
journal, September 2011

Consistent model of magnetism in ferropnictides
text, January 2010

Magnetoelastic Effects in Iron Telluride
text, January 2010

Nematic phase without Heisenberg physics in FeAs planes
text, January 2011

Microscopically derived Ginzburg-Landau theory for magnetic order in the iron pnictides
text, January 2011

Preemptive nematic order, pseudogap, and orbital order in the iron pnictides
text, January 2011

Structural quantum criticality and superconductivity in iron-based superconductor Ba(Fe1-xCox)2As2
text, January 2011

Nematic State of the Pnictides Stabilized by the Interplay Between Spin, Orbital, and Lattice Degrees of Freedom
text, January 2013

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors
text, January 2014

Excitonic and Nematic Instabilities on the Surface of Topological Kondo Insulators
text, January 2014

Spin liquid polymorphism in a correlated electron system on the threshold of superconductivity
text, January 2015

Spin-Driven Nematic Instability of the Multi-Orbital Hubbard Model: Application to Iron-Based Superconductors
text, January 2015